data_2jpe_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 2jpe _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.424 . . . . 75.030000000000001 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.777 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.409999999999997 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 71.430000000000007 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 75.140000000000001 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.099999999999994 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.310000000000002 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 74.230000000000004 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.519999999999996 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 75.439999999999998 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 36.7 p-80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.030000000000001 109.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.009999999999998 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 109.261 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 64.439999999999998 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.209999999999994 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.5 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 71.230000000000004 109.329 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 74.340000000000003 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.301 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.439999999999998 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 72.230000000000004 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.209999999999994 110.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.200000000000003 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.129999999999995 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 75.120000000000005 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.409999999999997 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.439999999999998 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.230000000000004 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.345 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.298 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 74.450000000000003 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.439999999999998 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.420000000000002 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 60.109999999999999 110.421 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.25 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 72.239999999999995 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.549999999999997 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.230000000000004 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 50' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.46 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.239999999999995 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.120000000000005 109.285 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.420000000000002 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.524 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.099999999999994 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.777 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 65.549999999999997 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.319999999999993 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.319999999999993 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.495 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.319999999999993 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.331 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 74.349999999999994 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.46 ' OG ' ' NE2' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 32.5 110.971 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 85' ' ' LEU . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 74.209999999999994 110.354 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 75.25 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.510000000000005 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.120000000000005 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.2 p-80 -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 72.239999999999995 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.140000000000001 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 75.319999999999993 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 75.329999999999998 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 75.150000000000006 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.350000000000001 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.6 tp60 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 64.439999999999998 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.495 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.540000000000006 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 62.420000000000002 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.519999999999996 109.334 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.040000000000006 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.471 ' N ' ' OG ' ' A' ' 113' ' ' SER . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 74.140000000000001 109.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 73.209999999999994 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.422 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.230000000000004 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 110.293 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.019999999999996 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.25 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.974 -0.433 . . . . 74.409999999999997 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.798 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.010000000000005 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.340000000000003 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.439999999999998 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.409999999999997 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 75.530000000000001 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.229999999999997 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.530000000000001 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.2 p-80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.150000000000006 109.587 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.219999999999999 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.439999999999998 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 73.140000000000001 109.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.010000000000005 109.266 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.349999999999994 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 71.230000000000004 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 74.030000000000001 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 109.273 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.540000000000006 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 72.510000000000005 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.219999999999999 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.019999999999996 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.340000000000003 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.129999999999995 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' CD2' HG13 ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 71.329999999999998 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.439999999999998 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 72.010000000000005 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.099999999999994 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.239999999999995 109.254 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 64.219999999999999 109.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.219999999999999 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.119999999999997 110.437 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.25 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.310000000000002 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.598 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.420000000000002 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.442 HG13 ' CD2' ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.340000000000003 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.530000000000001 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.219999999999999 109.325 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG13 ' CZ3' ' A' ' 19' ' ' TRP . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.798 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.530000000000001 109.601 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.219999999999999 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 64.030000000000001 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.200000000000003 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 109' ' ' ILE . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 71.219999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.349999999999994 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.540000000000006 109.306 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.520000000000003 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 51.119999999999997 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.340000000000003 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.5 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 114' ' ' THR . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.129999999999995 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.310000000000002 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 73.420000000000002 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.349999999999994 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.420000000000002 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.219999999999999 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.45 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.519999999999996 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.040000000000006 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.549999999999997 110.322 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.484 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.200000000000003 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.239999999999995 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 114' ' ' THR . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.219999999999999 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.475 ' N ' ' OG ' ' A' ' 113' ' ' SER . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.294 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 85' ' ' LEU . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.209999999999994 110.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.324 -0.621 . . . . 63.32 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.219999999999999 111.02 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 75.239999999999995 110.421 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 75.400000000000006 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.450000000000003 110.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 130' ' ' PRO . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.319999999999993 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 74.310000000000002 111.036 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.03 -0.412 . . . . 74.200000000000003 111.03 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.781 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.305 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.120000000000005 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 74.519999999999996 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.430000000000007 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.209999999999994 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 74.209999999999994 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.049999999999997 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.540000000000006 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 33.4 p-80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.409999999999997 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 125' ' ' THR . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.409999999999997 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 124' ' ' TYR . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 73.040000000000006 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 62.140000000000001 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.519999999999996 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 74.299999999999997 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 110.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.329999999999998 109.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.299999999999997 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 74.439999999999998 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.350000000000001 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.209999999999994 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.340000000000003 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.430000000000007 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.239999999999995 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.109999999999999 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 61.399999999999999 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.200000000000003 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 74.109999999999999 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.409999999999997 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.219999999999999 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 65.430000000000007 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.400000000000006 110.448 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.140000000000001 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.519999999999996 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.019999999999996 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.340000000000003 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.230000000000004 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.150000000000006 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.530000000000001 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 64.409999999999997 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.409999999999997 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' CH2' ' A' ' 19' ' ' TRP . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 72.219999999999999 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.781 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 62.210000000000001 109.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.510000000000005 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.230000000000004 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.319999999999993 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.439999999999998 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.400000000000006 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.409999999999997 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 89' ' ' ASN . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 75.510000000000005 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 74.109999999999999 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.47 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 66' ' ' SER . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.129999999999995 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 87' ' ' ASP . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 73.129999999999995 110.378 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 62.509999999999998 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' THR . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 73.200000000000003 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.5 p-80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.420000000000002 109.596 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.120000000000005 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.239999999999995 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.519999999999996 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.409999999999997 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 70.219999999999999 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.439999999999998 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.1 tp60 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.450000000000003 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 75.310000000000002 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 83' ' ' VAL . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 74.430000000000007 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 65.310000000000002 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 114' ' ' THR . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 64.150000000000006 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' A' ' 124' ' ' TYR . 3.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.409999999999997 111.027 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 115' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 72.540000000000006 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.497 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' NE ' ' A' ' 127' ' ' ARG . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.530000000000001 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' PRO . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 73.540000000000006 111.043 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.01 -0.419 . . . . 74.219999999999999 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 75.319999999999993 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.799 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.039999999999999 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.329999999999998 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.140000000000001 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 72.140000000000001 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.219999999999999 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.299999999999997 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.049999999999997 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.1 p-80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 74.010000000000005 109.615 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.349999999999994 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.329999999999998 109.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.200000000000003 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 74.25 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 75.109999999999999 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 71.010000000000005 109.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 33' ' ' LYS . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.239999999999995 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 62.43 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.530000000000001 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.510000000000005 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.329999999999998 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 71.319999999999993 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.409999999999997 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.230000000000004 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.019999999999996 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 75.420000000000002 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.119999999999997 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 71.409999999999997 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 74.400000000000006 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.439999999999998 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.409999999999997 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.120000000000005 110.413 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.540000000000006 109.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.510000000000005 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.140000000000001 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' HD22 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.140000000000001 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.403 ' CD2' ' HD2' ' A' ' 117' ' ' PHE . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' HG12 ' A' ' 83' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.566 HG13 ' CH2' ' A' ' 19' ' ' TRP . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.799 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.439999999999998 109.603 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.450000000000003 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.450000000000003 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.010000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG12 ' CD1' ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.020000000000003 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.150000000000006 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 94' ' ' THR . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 54.229999999999997 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 74.129999999999995 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.310000000000002 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.210000000000001 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.510000000000005 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 72.420000000000002 111.051 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' HD23 ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 75.450000000000003 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 74.409999999999997 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 72.019999999999996 109.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 62.409999999999997 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.8 p-80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.209999999999994 109.546 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.019999999999996 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.400000000000006 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.532 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.120000000000005 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.409999999999997 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 52.409999999999997 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 27.2 tp60 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.030000000000001 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 73.540000000000006 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.040000000000006 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 114' ' ' THR . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.509 ' N ' ' OG ' ' A' ' 113' ' ' SER . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.439999999999998 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CE1' HD23 ' A' ' 85' ' ' LEU . 4.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.981 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 71.5 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.019999999999996 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.239999999999995 110.371 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.129999999999995 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.420000000000002 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 110.998 -0.424 . . . . 72.340000000000003 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 75.040000000000006 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.099999999999994 109.278 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 75.019999999999996 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.510000000000005 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 74.430000000000007 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.150000000000006 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.019999999999996 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.450000000000003 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.6 p-80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 75.310000000000002 109.602 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 75.150000000000006 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 124' ' ' TYR . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 75.310000000000002 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 72.510000000000005 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.140000000000001 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 72.200000000000003 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.285 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.5 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.239999999999995 110.282 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.308 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.040000000000006 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.420000000000002 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.450000000000003 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.230000000000004 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.030000000000001 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.450000000000003 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.549999999999997 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 65.409999999999997 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 73.439999999999998 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.264 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.120000000000005 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.200000000000003 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.019999999999996 110.426 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.275 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 109.3 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.219999999999999 109.555 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 75.310000000000002 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.430000000000007 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.472 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 72.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.439999999999998 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.120000000000005 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 63.049999999999997 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.319999999999993 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.518 HG11 ' CH2' ' A' ' 19' ' ' TRP . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 71.329999999999998 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.785 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 72.319999999999993 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 75.510000000000005 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.430000000000007 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.109999999999999 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.526 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 74.030000000000001 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.340000000000003 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.319999999999993 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.569 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.510000000000005 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.433 ' CG2' HD23 ' A' ' 85' ' ' LEU . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 74.219999999999999 110.36 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.340000000000003 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.540000000000006 109.303 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.319999999999993 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.140000000000001 109.594 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 74.129999999999995 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.219999999999999 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.519999999999996 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.310000000000002 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.4 tp60 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.450000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.209999999999994 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.498 ' N ' ' HG3' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 75.030000000000001 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 73.340000000000003 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.253 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 74.129999999999995 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 114' ' ' THR . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' ' OG ' ' A' ' 113' ' ' SER . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.526 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 111.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 74.040000000000006 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.467 ' CE1' HG22 ' A' ' 31' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.340000000000003 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.040000000000006 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 73.409999999999997 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.986 -0.428 . . . . 73.140000000000001 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.209999999999994 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 44.43 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 74.349999999999994 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 74.140000000000001 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.310000000000002 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 72.120000000000005 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.509999999999998 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 74.409999999999997 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.8 p-80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.344 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 74.349999999999994 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 72.340000000000003 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.209999999999994 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.286 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 75.25 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.319999999999993 110.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 63.100000000000001 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.439999999999998 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 60.219999999999999 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.310000000000002 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.450000000000003 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 109.333 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.540000000000006 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.219999999999999 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.319999999999993 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.209999999999994 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.310000000000002 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.120000000000005 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 73.150000000000006 110.407 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.329999999999998 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 109.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 75.120000000000005 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.230000000000004 110.055 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 75.150000000000006 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' HD22 ' A' ' 50' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.510000000000005 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.540000000000006 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.349999999999994 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.801 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.439999999999998 109.632 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 75.239999999999995 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.405 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.420000000000002 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 73.310000000000002 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 75.030000000000001 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.409999999999997 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 71.519999999999996 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 74.329999999999998 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.55 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 91' ' ' THR . 3.8 m-70 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.97 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.310000000000002 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' THR . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.299999999999997 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.109999999999999 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.4 p-80 -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.140000000000001 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.019999999999996 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.510000000000005 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.439999999999998 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.530000000000001 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 71.450000000000003 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 74.049999999999997 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.5 tp60 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 74.219999999999999 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.51 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.349999999999994 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.010000000000005 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.430000000000007 110.997 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.337 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.299999999999997 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 114' ' ' THR . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 70.340000000000003 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 71.319999999999993 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.319999999999993 109.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.140000000000001 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.494 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.549999999999997 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 74.519999999999996 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.219999999999999 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 75.150000000000006 109.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 54.140000000000001 110.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.299999999999997 111.004 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.98 -0.431 . . . . 74.450000000000003 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.714 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.239999999999995 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 63.509999999999998 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 75.400000000000006 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 73.150000000000006 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.239999999999995 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 71.209999999999994 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 72.25 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.2 p-80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 109.599 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 63.229999999999997 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 73.049999999999997 109.285 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.099999999999994 109.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.319999999999993 109.338 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.430000000000007 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.510000000000005 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.450000000000003 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 33' ' ' LYS . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.349999999999994 110.271 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 73.019999999999996 109.237 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 74.310000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 75.230000000000004 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 71.329999999999998 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 73.099999999999994 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 110.316 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.549999999999997 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.409999999999997 109.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.219999999999999 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 71.209999999999994 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.540000000000006 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.120000000000005 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.240000000000002 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.323 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.430000000000007 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.548 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.540000000000006 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.340000000000003 110.409 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.549999999999997 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 73.530000000000001 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.299999999999997 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 74.209999999999994 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.140000000000001 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 75.430000000000007 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 71.030000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.430000000000007 109.318 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 19' ' ' TRP . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.219999999999999 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.714 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.310000000000002 109.631 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.140000000000001 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' ILE . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.400000000000006 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.340000000000003 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.604 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.329999999999998 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.443 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.120000000000005 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 61.420000000000002 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' HD21 ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 74.340000000000003 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 114' ' ' THR . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.420000000000002 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.571 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.329999999999998 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.120000000000005 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.568 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 72.200000000000003 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.530000000000001 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 72.420000000000002 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 73.329999999999998 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.9 tp60 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.209999999999994 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 83' ' ' VAL . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 73.420000000000002 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.430000000000007 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 70.150000000000006 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.119999999999997 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 74.239999999999995 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.129999999999995 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.510000000000005 110.966 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.252 -0.647 . . . . 73.310000000000002 109.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 75.409999999999997 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.209999999999994 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.321 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.219999999999999 110.346 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 130' ' ' PRO . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.420000000000002 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.409999999999997 111.064 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.983 -0.43 . . . . 73.430000000000007 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 65.519999999999996 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.766 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.200000000000003 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.520000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 75.109999999999999 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 73.340000000000003 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 73.310000000000002 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 73.349999999999994 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 70.150000000000006 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.099999999999994 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.040000000000006 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.6 p-80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 73.340000000000003 109.583 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 109.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.329999999999998 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.040000000000006 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.230000000000004 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.109999999999999 109.264 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.219999999999999 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.319999999999993 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CG2' ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.099999999999994 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 74.109999999999999 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.150000000000006 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.219999999999999 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.540000000000006 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.219999999999999 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.299999999999997 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.430000000000007 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 109.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.150000000000006 109.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.319999999999993 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 75.420000000000002 110.383 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.109999999999999 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.120000000000005 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.420000000000002 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.049999999999997 109.989 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 74.120000000000005 108.314 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.409999999999997 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.030000000000001 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.400000000000006 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG13 ' CH2' ' A' ' 19' ' ' TRP . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 73.049999999999997 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.766 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.609 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.400000000000006 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' ILE . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 72.219999999999999 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 94' ' ' THR . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 72.150000000000006 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.109999999999999 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.209999999999994 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.310000000000002 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 109.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.439999999999998 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.5 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.130000000000003 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 111.0 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 85' ' ' LEU . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 74.129999999999995 110.419 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 61.43 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.1 p-80 -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.200000000000003 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 74.319999999999993 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.409999999999997 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 64.530000000000001 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.420000000000002 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.409999999999997 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.532 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.329999999999998 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 74.430000000000007 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.457 ' N ' ' OG ' ' A' ' 113' ' ' SER . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 71.299999999999997 109.321 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.510000000000005 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.591 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.326 -0.62 . . . . 74.120000000000005 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.019999999999996 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 127' ' ' ARG . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.019999999999996 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.239999999999995 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' LYS . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.447 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.329999999999998 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 73.519999999999996 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 73.329999999999998 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.803 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.540000000000006 109.303 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.219999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 73.530000000000001 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.349999999999994 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.230000000000004 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 63.100000000000001 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.200000000000003 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 29.1 p-80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.614 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 60.43 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.409999999999997 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.329999999999998 109.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 75.049999999999997 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.299999999999997 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.200000000000003 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.219999999999999 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.430000000000007 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.400000000000006 110.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.409999999999997 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 71.25 109.264 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.349999999999994 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.592 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 70' ' ' VAL . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 62.119999999999997 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CD ' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 72.409999999999997 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 73.049999999999997 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.302 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 75.5 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.37 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.439999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.5 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 62.219999999999999 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.430000000000007 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.409999999999997 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 50' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 72.25 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.450000000000003 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.219999999999999 109.334 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.140000000000001 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 19' ' ' TRP . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.109999999999999 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 75.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.803 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.340000000000003 109.567 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.450000000000003 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.409 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.409999999999997 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.319999999999993 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.329999999999998 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 75.5 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 74.150000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.340000000000003 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' HG21 ' A' ' 91' ' ' THR . 0.4 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.349999999999994 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 73.5 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.329999999999998 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.9 p-80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.219999999999999 109.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 72.140000000000001 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 73.430000000000007 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.129999999999995 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 74.140000000000001 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 73.349999999999994 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 74.319999999999993 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.526 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 63.25 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 71.530000000000001 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 74.030000000000001 111.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.129999999999995 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 114' ' ' THR . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 72.209999999999994 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.409999999999997 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.427 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 111.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 53.420000000000002 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 75.239999999999995 110.98 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.416 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.340000000000003 109.333 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.537 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 74.439999999999998 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.430000000000007 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.310000000000002 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.400000000000006 111.06 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.017 -0.417 . . . . 74.030000000000001 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.200000000000003 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 62.539999999999999 109.278 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 75.510000000000005 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.530000000000001 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.099999999999994 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 72.439999999999998 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.209999999999994 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 65.219999999999999 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 72.439999999999998 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 37.5 p-80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 109.551 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.420000000000002 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.530000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.130000000000003 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.109999999999999 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.277 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.409999999999997 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 71.430000000000007 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 72.510000000000005 110.306 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 73.299999999999997 109.33 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.510000000000005 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.120000000000005 110.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.209999999999994 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 70' ' ' VAL . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 71.120000000000005 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 74.109999999999999 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.400000000000006 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.219999999999999 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.200000000000003 109.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.010000000000005 109.251 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 74.299999999999997 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.329999999999998 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 71.140000000000001 110.397 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 71.019999999999996 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 109.608 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 60.210000000000001 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 72.430000000000007 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.130000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.529 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.519999999999996 109.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG12 ' CZ3' ' A' ' 19' ' ' TRP . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 72.299999999999997 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.299999999999997 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.612 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 109.596 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.409999999999997 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.120000000000005 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.219999999999999 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 109' ' ' ILE . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 72.120000000000005 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.200000000000003 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 109.283 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 94' ' ' THR . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 75.200000000000003 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.529 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.109999999999999 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.476 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' OG ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.310000000000002 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 70.129999999999995 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.209999999999994 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.329999999999998 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.9 p-80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.400000000000006 109.541 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 73.25 109.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 75.519999999999996 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.450000000000003 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.319999999999993 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 71.439999999999998 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.400000000000006 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.557 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 74.409999999999997 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.140000000000001 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.140000000000001 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.299999999999997 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.456 ' N ' ' OG ' ' A' ' 113' ' ' SER . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 74.450000000000003 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.494 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.625 . . . . 42.229999999999997 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 123' ' ' ALA . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.140000000000001 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.109999999999999 110.248 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 64.319999999999993 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.200000000000003 111.053 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.022 -0.415 . . . . 74.340000000000003 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.140000000000001 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.772 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 109.314 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.040000000000006 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.439999999999998 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.510000000000005 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 71.25 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 73.329999999999998 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.0 p-80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 109.601 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.450000000000003 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.230000000000004 109.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.400000000000006 109.356 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 74.030000000000001 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.420000000000002 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.439999999999998 109.274 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 109.312 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.239999999999995 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 110.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.430000000000007 110.342 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.530000000000001 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.549999999999997 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 65.5 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 74.140000000000001 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.439999999999998 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.400000000000006 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.150000000000006 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 109.3 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 109.314 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.209999999999994 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 72.200000000000003 110.413 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 74.200000000000003 109.56 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' CYS . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.049999999999997 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.409999999999997 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 72.140000000000001 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 74.120000000000005 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 19' ' ' TRP . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.239999999999995 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 74.510000000000005 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.772 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 109.574 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.349999999999994 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.230000000000004 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.239999999999995 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 109' ' ' ILE . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 70.519999999999996 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.310000000000002 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.519999999999996 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.549999999999997 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.329999999999998 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 64.439999999999998 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.569 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.509999999999998 111.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.474 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.230000000000004 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.299999999999997 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.030000000000001 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 3.8 p-80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.310000000000002 109.59 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 73.099999999999994 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.430000000000007 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.140000000000001 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.553 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.129999999999995 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.209999999999994 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 74.040000000000006 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.4 tp60 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 70.540000000000006 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.519 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.409999999999997 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 71.209999999999994 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 74.109999999999999 109.284 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 114' ' ' THR . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.452 ' N ' ' OG ' ' A' ' 113' ' ' SER . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 62.310000000000002 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.6 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 72.25 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 75.140000000000001 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.400000000000006 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 61.439999999999998 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.239999999999995 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.510000000000005 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.002 -0.422 . . . . 72.209999999999994 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.672 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB2' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 70.329999999999998 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.420000000000002 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 73.230000000000004 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.549999999999997 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.099999999999994 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 71.030000000000001 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 43.8 p-80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.566 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.299999999999997 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.349999999999994 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.439999999999998 109.301 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.209999999999994 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 71.450000000000003 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.450000000000003 109.281 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.099999999999994 109.288 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 110.342 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.25 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.299999999999997 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.505 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.209999999999994 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.319999999999993 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.314 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 73.25 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 73.450000000000003 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.040000000000006 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 75.340000000000003 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.030000000000001 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.310000000000002 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.439999999999998 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 72.209999999999994 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.210000000000001 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.150000000000006 109.6 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.109999999999999 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' CYS . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.140000000000001 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.130000000000003 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 75.530000000000001 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.510000000000005 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.442 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 71.150000000000006 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 65.5 109.343 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 88' ' ' LEU . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG13 ' CH2' ' A' ' 19' ' ' TRP . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.530000000000001 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 75.319999999999993 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 109.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.109999999999999 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.510000000000005 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 75.129999999999995 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 109' ' ' ILE . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.329999999999998 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.439999999999998 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 94' ' ' THR . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.25 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 74.400000000000006 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.129999999999995 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.099999999999994 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.230000000000004 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 73.510000000000005 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 62.039999999999999 109.331 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 74.5 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 1.8 p-80 -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.409999999999997 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 71.439999999999998 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 72.510000000000005 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.299999999999997 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.150000000000006 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 65.010000000000005 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 65.129999999999995 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.547 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.340000000000003 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.230000000000004 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 74.030000000000001 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 109.327 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 114' ' ' THR . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.400000000000006 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.200000000000003 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.340000000000003 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 45.409999999999997 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' A' ' 124' ' ' TYR . 4.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.019999999999996 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 73.340000000000003 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.329999999999998 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.42 HG23 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.349999999999994 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.464 ' CB ' ' NZ ' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.030000000000001 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.129999999999995 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 110.981 -0.43 . . . . 72.219999999999999 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.624 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' HG3' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 74.019999999999996 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 72.439999999999998 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.400000000000006 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 73.400000000000006 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.340000000000003 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.239999999999995 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 73.530000000000001 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.200000000000003 109.585 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.200000000000003 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.040000000000006 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.289 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 75.329999999999998 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.340000000000003 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 73.109999999999999 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.268 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.264 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.319999999999993 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.253 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.516 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 73.5 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.353 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 73.049999999999997 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.109999999999999 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 75.530000000000001 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.549999999999997 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 61.119999999999997 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 74.299999999999997 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 74.310000000000002 110.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.340000000000003 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.099999999999994 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 64.099999999999994 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 65.010000000000005 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.450000000000003 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 75.120000000000005 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 75.5 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 74.450000000000003 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.400000000000006 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' CH2' ' A' ' 19' ' ' TRP . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.549999999999997 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.624 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.55 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.447 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 75.030000000000001 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.310000000000002 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 109' ' ' ILE . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.140000000000001 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 73.310000000000002 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 109.297 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 74.25 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.239999999999995 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.549999999999997 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.040000000000006 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.568 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 64.530000000000001 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CD2' HG21 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.219999999999999 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.48 ' CG2' HD23 ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 65.099999999999994 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' THR . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.409999999999997 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.310000000000002 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.8 p-80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 72.219999999999999 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 71.200000000000003 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.569 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.200000000000003 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.530000000000001 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 62.310000000000002 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.9 tp60 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 74.420000000000002 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.319999999999993 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 75.549999999999997 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 109.319 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.119999999999997 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 114' ' ' THR . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.469 ' N ' ' OG ' ' A' ' 113' ' ' SER . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.420000000000002 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 72.040000000000006 109.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.149999999999999 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 73.140000000000001 111.014 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.3 -0.63 . . . . 63.310000000000002 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 71.510000000000005 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 72.5 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.450000000000003 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.578 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.400000000000006 110.302 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 130' ' ' PRO . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.150000000000006 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 73.430000000000007 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 111.016 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 71.120000000000005 110.995 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 74.049999999999997 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.549999999999997 109.295 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 72.25 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.409999999999997 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.030000000000001 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.310000000000002 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.329999999999998 111.021 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.430000000000007 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.140000000000001 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.0 p-80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.329999999999998 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.275 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 75.239999999999995 109.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 54.130000000000003 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.129999999999995 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 75.329999999999998 109.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.262 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.316 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 63.299999999999997 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 73.230000000000004 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.310000000000002 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.140000000000001 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 74.430000000000007 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.430000000000007 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 74.25 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.109999999999999 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.150000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 109.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.130000000000003 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.230000000000004 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 75.019999999999996 110.408 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.099999999999994 109.618 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.439999999999998 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.971 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 108.302 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 65.430000000000007 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.219999999999999 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.468 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 74.129999999999995 109.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.349999999999994 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.340000000000003 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.340000000000003 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 72.420000000000002 109.645 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 73.109999999999999 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.019999999999996 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.420000000000002 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.200000000000003 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.531 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 89' ' ' ASN . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 75.409999999999997 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.549999999999997 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.468 ' OG ' ' NE2' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.471 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.400000000000006 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 70.209999999999994 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' THR . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 73.400000000000006 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 75.439999999999998 109.587 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.140000000000001 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 75.040000000000006 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 74.040000000000006 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 75.430000000000007 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 74.400000000000006 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.109999999999999 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.519999999999996 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.593 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 53.119999999999997 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 83' ' ' VAL . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 72.299999999999997 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 73.519999999999996 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 109.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 71.030000000000001 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 114' ' ' THR . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.420000000000002 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' ' OG ' ' A' ' 113' ' ' SER . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.430000000000007 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.292 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.239999999999995 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.531 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 61.32 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.427 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.420000000000002 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.109999999999999 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.339 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.049999999999997 110.288 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.219999999999999 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.109999999999999 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.200000000000003 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 62.329999999999998 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.109999999999999 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.628 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.049999999999997 109.287 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 74.439999999999998 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 64.420000000000002 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 71.230000000000004 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 74.040000000000006 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 72.439999999999998 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 73.109999999999999 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 49.6 p-80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.209999999999994 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 109.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' NZ ' ' NZ ' ' A' ' 36' ' ' LYS . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.310000000000002 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' NZ ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.120000000000005 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.340000000000003 110.365 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HD3' ' CD2' ' A' ' 28' ' ' HIS . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 75.420000000000002 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.230000000000004 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 71.099999999999994 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.230000000000004 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 63.450000000000003 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 70' ' ' VAL . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.439999999999998 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 75.129999999999995 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 72.25 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.140000000000001 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.539999999999999 109.321 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 73.319999999999993 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 72.329999999999998 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.129999999999995 110.369 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 72.209999999999994 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.420000000000002 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.109999999999999 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.219999999999999 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.030000000000001 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.019999999999996 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.628 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.652 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.140000000000001 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 74.319999999999993 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 73.140000000000001 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' ILE . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.140000000000001 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.530000000000001 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 61.240000000000002 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 64.450000000000003 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 62.340000000000003 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.030000000000001 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.571 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.474 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.329999999999998 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.540000000000006 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 71.5 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.239999999999995 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 74.510000000000005 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.319999999999993 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 75.109999999999999 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 72.150000000000006 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.6 tp60 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.200000000000003 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.601 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.430000000000007 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 114' ' ' THR . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.209999999999994 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.510000000000005 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 111.055 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 74.010000000000005 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 65.349999999999994 110.957 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 110.407 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.109999999999999 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.109999999999999 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 72.040000000000006 111.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.02 -0.415 . . . . 74.230000000000004 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.526 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.439999999999998 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 74.400000000000006 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 74.349999999999994 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.540000000000006 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 73.439999999999998 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.239999999999995 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.239999999999995 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 109.605 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.439999999999998 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.329999999999998 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 109.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.540000000000006 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 65.25 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.439999999999998 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.129999999999995 109.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.319999999999993 109.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.310000000000002 110.271 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.019999999999996 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.230000000000004 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 74.310000000000002 109.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 75.400000000000006 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.310000000000002 109.342 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 73.129999999999995 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 70' ' ' VAL . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 52.43 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 72.329999999999998 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.299999999999997 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 74.519999999999996 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.310000000000002 109.292 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.439999999999998 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 75.549999999999997 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.040000000000006 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 64.310000000000002 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 65.530000000000001 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.219999999999999 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 74.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.484 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 72.530000000000001 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.109999999999999 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.430000000000007 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.439999999999998 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 64.439999999999998 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 23' ' ' PRO . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.526 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.593 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 72.420000000000002 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.447 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.120000000000005 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.230000000000004 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.230000000000004 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 64.219999999999999 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.52 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.200000000000003 109.314 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 61.210000000000001 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.57 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.149999999999999 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.509 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.129999999999995 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 64.310000000000002 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.432 ' CG2' HD23 ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 74.409999999999997 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 74.099999999999994 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.339 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 4.7 p-80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 109.574 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 73.430000000000007 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.239999999999995 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.409999999999997 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.049999999999997 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.450000000000003 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 75.439999999999998 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.229999999999997 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.32 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.239999999999995 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.441 ' N ' ' OG ' ' A' ' 113' ' ' SER . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.099999999999994 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.420000000000002 110.968 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.335 -0.617 . . . . 73.019999999999996 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 110.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.230000000000004 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 73.430000000000007 110.316 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 130' ' ' PRO . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.409999999999997 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.150000000000006 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 63.039999999999999 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.038 -0.408 . . . . 74.140000000000001 111.038 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.702 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 75.049999999999997 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.540000000000006 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 75.129999999999995 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 73.209999999999994 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.399999999999999 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 61.140000000000001 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 74.420000000000002 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 31.1 p-80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 73.510000000000005 109.591 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.150000000000006 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.420000000000002 109.316 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 124' ' ' TYR . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 70.129999999999995 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.439999999999998 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.109999999999999 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.324 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 71.010000000000005 109.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 73.549999999999997 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.519999999999996 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.247 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 75.400000000000006 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 70.030000000000001 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.25 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 73.409999999999997 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.010000000000005 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.329999999999998 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 75.109999999999999 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.049999999999997 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.439999999999998 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 63.530000000000001 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.510000000000005 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.299999999999997 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 110.396 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 70.430000000000007 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.420000000000002 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.099999999999994 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.120000000000005 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.405 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 65.230000000000004 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.010000000000005 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.109999999999999 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.427 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.010000000000005 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 54.340000000000003 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.702 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.434 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 75.040000000000006 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.530000000000001 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 71.420000000000002 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 109' ' ' ILE . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.099999999999994 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 71.549999999999997 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.019999999999996 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 74.109999999999999 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 75.010000000000005 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 89' ' ' ASN . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.150000000000006 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 73.120000000000005 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.564 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.200000000000003 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.459 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.439999999999998 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.140000000000001 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.409999999999997 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.299999999999997 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.409999999999997 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.530000000000001 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 72.430000000000007 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.230000000000004 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.230000000000004 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 83' ' ' VAL . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 74.230000000000004 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.310000000000002 109.255 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.457 ' N ' ' OG ' ' A' ' 113' ' ' SER . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.200000000000003 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.129999999999995 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.010000000000005 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 52.43 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.428 ' CD1' HG21 ' A' ' 31' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.519999999999996 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.439999999999998 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.400000000000006 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 74.420000000000002 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.037 -0.409 . . . . 74.25 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 72.530000000000001 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 74.510000000000005 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.319999999999993 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.239999999999995 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.209999999999994 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.420000000000002 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.340000000000003 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.120000000000005 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 30.5 p-80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.019999999999996 109.614 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 32' ' ' VAL . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.299999999999997 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' HD13 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 75.329999999999998 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.120000000000005 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 74.200000000000003 109.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.319999999999993 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' A' ' 33' ' ' LYS . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.120000000000005 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 71.129999999999995 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 73.329999999999998 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.239999999999995 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 63.119999999999997 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.140000000000001 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 71.120000000000005 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.219999999999999 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.540000000000006 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 72.400000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.019999999999996 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.540000000000006 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 73.140000000000001 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.413 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 75.150000000000006 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.129999999999995 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.530000000000001 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.988 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 108.27 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.040000000000006 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 52.539999999999999 109.26 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG13 ' CH2' ' A' ' 19' ' ' TRP . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 73.209999999999994 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.129999999999995 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.420000000000002 109.554 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 74.200000000000003 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.120000000000005 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.010000000000005 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 109' ' ' ILE . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 70.219999999999999 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.503 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 75.439999999999998 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.439999999999998 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.019999999999996 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 73.409999999999997 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 75.030000000000001 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.099999999999994 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.099999999999994 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 74.209999999999994 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 61.039999999999999 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.261 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.130000000000003 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.1 p-80 -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.420000000000002 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.420000000000002 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.329999999999998 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 75.150000000000006 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.239999999999995 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.340000000000003 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 2.9 m-70 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.340000000000003 109.611 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.340000000000003 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.430000000000007 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.503 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 83' ' ' VAL . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 72.409999999999997 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 72.239999999999995 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 74.239999999999995 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' A' ' 114' ' ' THR . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.511 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.010000000000005 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.637 . . . . 54.009999999999998 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 63.039999999999999 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 72.129999999999995 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 110.317 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 130' ' ' PRO . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 73.430000000000007 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 73.439999999999998 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.023 -0.414 . . . . 73.120000000000005 111.023 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.230000000000004 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.679 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 75.200000000000003 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 109.246 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.349999999999994 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CE ' ' HE3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.230000000000004 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.219999999999999 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' CD ' ' OH ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 75.140000000000001 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.430000000000007 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.020000000000003 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 38.0 p-80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.566 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 109.296 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.430000000000007 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.230000000000004 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.439999999999998 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 64.120000000000005 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.109999999999999 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 62.25 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.239999999999995 109.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 74.319999999999993 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 75.230000000000004 110.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.540000000000006 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' HE3' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.099999999999994 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.540000000000006 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.329999999999998 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.209999999999994 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 74.049999999999997 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 72.140000000000001 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 74.310000000000002 110.435 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 71.510000000000005 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.219999999999999 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' CYS . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.540000000000006 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 63.119999999999997 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.099999999999994 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.527 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.25 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.399999999999999 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' PHE . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.099999999999994 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.679 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.200000000000003 109.636 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.319999999999993 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 73.019999999999996 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 73.019999999999996 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.319999999999993 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 109' ' ' ILE . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.129999999999995 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 94' ' ' THR . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.430000000000007 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.400000000000006 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.527 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.492 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.209999999999994 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 71.239999999999995 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.510000000000005 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 60.030000000000001 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.340000000000003 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.319999999999993 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 74.120000000000005 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.450000000000003 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 74.25 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.540000000000006 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.413 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.239999999999995 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.540000000000006 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 71.510000000000005 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.519999999999996 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 74.340000000000003 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.129999999999995 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' ' N ' ' A' ' 114' ' ' THR . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.329999999999998 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 113' ' ' SER . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.099999999999994 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.130000000000003 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.516 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.053 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.334 -0.617 . . . . 74.319999999999993 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 71.239999999999995 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 74.430000000000007 109.275 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.571 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.230000000000004 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.149999999999999 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.018 -0.416 . . . . 64.430000000000007 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.349999999999994 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 74.109999999999999 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 75.109999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 55.32 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.120000000000005 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 75.219999999999999 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.099999999999994 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.450000000000003 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 39.7 p-80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 109.587 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.150000000000006 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.530000000000001 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.099999999999994 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.120000000000005 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.010000000000005 109.295 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 65.439999999999998 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 126' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.439999999999998 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 72.420000000000002 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.109999999999999 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.319999999999993 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.010000000000005 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.540000000000006 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 75.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.372 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 71.430000000000007 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 73.25 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.430000000000007 109.616 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.026 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 62' ' ' ILE . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.319999999999993 108.298 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 71.340000000000003 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 109.307 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.319999999999993 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.338 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' CH2' ' A' ' 19' ' ' TRP . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.140000000000001 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.010000000000005 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.609 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.444 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 74.310000000000002 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 109' ' ' ILE . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.439999999999998 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 72.040000000000006 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.319999999999993 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.281 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.530000000000001 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 89' ' ' ASN . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.450000000000003 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.400000000000006 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 71.400000000000006 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 54.509999999999998 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 72.340000000000003 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.109999999999999 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 63.100000000000001 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 1.9 p-80 -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.100000000000001 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.209999999999994 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 64.299999999999997 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.200000000000003 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.030000000000001 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 74.299999999999997 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.200000000000003 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.8 tp60 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.569 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.230000000000004 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.450000000000003 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.209999999999994 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.329999999999998 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.219999999999999 111.015 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.289 -0.634 . . . . 73.239999999999995 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.432 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.409999999999997 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 43' ' ' ILE . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.430000000000007 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 110.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' PRO . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 75.129999999999995 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 72.219999999999999 110.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.535 0.207 . . . . 70.120000000000005 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.4 179.4 6.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.019999999999996 109.345 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.24 122.28 27.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.319999999999993 109.283 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.68 43.93 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 109.262 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.41 110.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.293 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.91 -15.67 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.209999999999994 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -59.54 139.44 57.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 62.340000000000003 109.972 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.51 -176.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -73.14 -60.02 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.120000000000005 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p -171.42 121.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 61.299999999999997 109.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.52 157.77 69.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 71.140000000000001 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 60.049999999999997 110.997 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -115.69 -7.71 12.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 65.349999999999994 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t80 -175.87 170.49 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.129999999999995 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 23.9 t0 -141.14 107.05 5.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 54.020000000000003 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 15.4 t -63.11 135.09 96.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 71.420000000000002 108.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -74.97 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 75.030000000000001 110.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.777 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.409999999999997 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 71.430000000000007 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 75.140000000000001 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.099999999999994 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.310000000000002 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 74.230000000000004 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.519999999999996 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 75.439999999999998 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 36.7 p-80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.030000000000001 109.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.009999999999998 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 109.261 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 64.439999999999998 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.209999999999994 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 71.5 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 71.230000000000004 109.329 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 74.340000000000003 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.519999999999996 110.301 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.439999999999998 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.530000000000001 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 72.230000000000004 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.209999999999994 110.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.200000000000003 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.150000000000006 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.129999999999995 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 75.120000000000005 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.409999999999997 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.439999999999998 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.230000000000004 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.345 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 109.298 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 74.450000000000003 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.439999999999998 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.420000000000002 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 60.109999999999999 110.421 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.25 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 72.239999999999995 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.505 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.549999999999997 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.230000000000004 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG1' HD21 ' A' ' 50' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.46 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.239999999999995 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.120000000000005 109.285 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.420000000000002 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.524 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.099999999999994 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.777 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 65.549999999999997 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 75.450000000000003 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.319999999999993 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.319999999999993 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.495 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.319999999999993 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.331 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 74.349999999999994 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.46 ' OG ' ' NE2' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 32.5 110.971 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 85' ' ' LEU . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 74.209999999999994 110.354 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 75.25 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.510000000000005 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.120000000000005 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.2 p-80 -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 72.239999999999995 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.140000000000001 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 75.319999999999993 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 75.329999999999998 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 75.150000000000006 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.350000000000001 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.6 tp60 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 64.439999999999998 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.495 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.540000000000006 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 62.420000000000002 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.519999999999996 109.334 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.040000000000006 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.471 ' N ' ' OG ' ' A' ' 113' ' ' SER . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 74.140000000000001 109.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.604 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.8 m-85 -67.6 -173.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.972 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -51.66 -88.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 72.219999999999999 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.505 ' CB ' ' CB ' ' A' ' 66' ' ' SER . . . -67.96 -69.89 0.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 0.755 . . . . 73.340000000000003 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -36.21 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 70.129999999999995 110.019 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.4 p -73.24 -1.82 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 110.415 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 121' ' ' THR . 15.4 mmt85 -47.45 175.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 73.510000000000005 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -132.67 61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.422 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.230000000000004 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.219999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 110.293 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.019999999999996 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.05 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.25 111.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 145.82 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 73.319999999999993 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 74.239999999999995 110.406 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 72.400000000000006 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.27 35.35 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 72.140000000000001 109.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.79 161.61 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.100000000000001 109.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.07 67.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 55.439999999999998 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -74.88 -21.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.329 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -104.34 55.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.299999999999997 109.302 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -136.97 177.92 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 74.349999999999994 109.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.88 -173.5 45.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 75.140000000000001 110.962 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.5 125.05 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 44.149999999999999 110.05 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -175.21 154.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 73.409999999999997 110.034 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.2 156.82 9.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 75.099999999999994 109.307 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 72.519999999999996 111.019 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -113.9 -12.15 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 75.530000000000001 109.305 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.3 151.68 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.439999999999998 111.013 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 1.5 p-10 -95.79 115.39 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 70.230000000000004 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -87.35 138.15 32.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 60.409999999999997 108.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.07 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 74.409999999999997 110.974 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.798 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.010000000000005 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.340000000000003 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.439999999999998 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.409999999999997 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 75.530000000000001 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.229999999999997 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.530000000000001 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.2 p-80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.150000000000006 109.587 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.219999999999999 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.439999999999998 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 73.140000000000001 109.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.010000000000005 109.266 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.349999999999994 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 71.230000000000004 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 74.030000000000001 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 109.273 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.540000000000006 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 72.510000000000005 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.219999999999999 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.019999999999996 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.340000000000003 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.129999999999995 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' CD2' HG13 ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 71.329999999999998 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.439999999999998 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 72.010000000000005 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.099999999999994 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.239999999999995 109.254 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 64.219999999999999 109.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.219999999999999 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.119999999999997 110.437 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.25 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.310000000000002 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CD2' ' OG ' ' A' ' 120' ' ' SER . 0.6 OUTLIER -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.329999999999998 109.598 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.430000000000007 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.515 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.420000000000002 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.442 HG13 ' CD2' ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.340000000000003 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 73.519999999999996 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.530000000000001 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.219999999999999 109.325 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG13 ' CZ3' ' A' ' 19' ' ' TRP . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.798 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.530000000000001 109.601 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.219999999999999 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 64.030000000000001 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.200000000000003 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 109' ' ' ILE . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 71.219999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.349999999999994 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.540000000000006 109.306 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.520000000000003 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.530000000000001 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 51.119999999999997 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.340000000000003 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.5 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 114' ' ' THR . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.129999999999995 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.310000000000002 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 73.420000000000002 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.349999999999994 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.420000000000002 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.219999999999999 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.45 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.519999999999996 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.040000000000006 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.549999999999997 110.322 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.484 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 71.519999999999996 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.200000000000003 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.239999999999995 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 114' ' ' THR . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.219999999999999 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.475 ' N ' ' OG ' ' A' ' 113' ' ' SER . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.294 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 85' ' ' LEU . 4.7 m-85 -72.84 163.24 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.209999999999994 110.993 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -54.87 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 62.509999999999998 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -46.08 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 72.540000000000006 109.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 64' ' ' HIS . 1.7 m -63.33 129.28 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.140000000000001 109.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 122' ' ' ARG . 7.9 p -90.04 13.82 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.049999999999997 110.431 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' NH1' ' CB ' ' A' ' 33' ' ' LYS . 17.4 mmt180 -49.47 179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.04 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 63.32 109.324 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.219999999999999 111.02 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 75.239999999999995 110.421 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 75.400000000000006 109.326 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.450000000000003 110.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 130' ' ' PRO . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.319999999999993 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 74.310000000000002 111.036 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.29 154.25 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 70.340000000000003 110.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 75.439999999999998 110.416 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.513 0.197 . . . . 71.239999999999995 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.63 101.16 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.329999999999998 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.57 169.71 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 75.400000000000006 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.36 51.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 109.307 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -123.3 143.98 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 74.019999999999996 109.331 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 10.5 p-10 -59.7 151.01 26.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 73.209999999999994 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t -126.24 62.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.54 146.05 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 60.350000000000001 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.64 92.33 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 73.340000000000003 110.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -169.85 174.62 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 75.129999999999995 109.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.76 157.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 72.25 109.265 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 64.409999999999997 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.58 -27.01 9.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.319999999999993 109.296 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 4.0 t80 -167.14 157.6 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 110.959 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -123.91 115.53 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 72.530000000000001 109.296 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -66.39 142.44 97.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 70.439999999999998 108.276 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.96 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 74.200000000000003 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.409999999999997 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.781 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.305 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.120000000000005 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 74.519999999999996 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.430000000000007 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.209999999999994 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 74.209999999999994 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.049999999999997 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.540000000000006 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 33.4 p-80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 74.129999999999995 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.409999999999997 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' A' ' 125' ' ' THR . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.409999999999997 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 124' ' ' TYR . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 73.040000000000006 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 62.140000000000001 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.519999999999996 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 74.299999999999997 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 110.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.329999999999998 109.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.299999999999997 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 74.439999999999998 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.350000000000001 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.209999999999994 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 71.430000000000007 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.340000000000003 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 72.430000000000007 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.239999999999995 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.109999999999999 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 61.399999999999999 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.200000000000003 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 74.109999999999999 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 75.209999999999994 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.409999999999997 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.219999999999999 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 65.430000000000007 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.400000000000006 110.448 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.140000000000001 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.519999999999996 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.019999999999996 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 92' ' ' HIS . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.340000000000003 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.230000000000004 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.150000000000006 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.530000000000001 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 64.409999999999997 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.409999999999997 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' CH2' ' A' ' 19' ' ' TRP . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.099999999999994 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 72.219999999999999 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.781 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 62.210000000000001 109.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.510000000000005 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.230000000000004 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.319999999999993 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.439999999999998 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.219999999999999 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.400000000000006 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.409999999999997 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 89' ' ' ASN . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 75.510000000000005 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 74.109999999999999 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.47 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 66' ' ' SER . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.129999999999995 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' ' 87' ' ' ASP . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 73.129999999999995 110.378 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 62.509999999999998 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' THR . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 73.200000000000003 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.5 p-80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.420000000000002 109.596 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.120000000000005 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.239999999999995 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.519999999999996 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.409999999999997 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 70.219999999999999 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.439999999999998 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.1 tp60 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.450000000000003 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 75.310000000000002 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 83' ' ' VAL . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 74.430000000000007 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 65.310000000000002 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 114' ' ' THR . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 64.150000000000006 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' A' ' 124' ' ' TYR . 3.2 m-85 -75.1 -174.24 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.409999999999997 111.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.4 ' O ' ' CG2' ' A' ' 121' ' ' THR . . . -87.06 -48.49 4.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 44.340000000000003 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 66' ' ' SER . . . -62.84 -90.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 73.420000000000002 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.499 ' C ' ' CG2' ' A' ' 121' ' ' THR . 16.6 m -61.52 -47.94 83.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 120' ' ' SER . 1.0 OUTLIER 66.85 30.61 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.439999999999998 110.397 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.576 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 24.1 mmt85 -54.73 -169.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 110.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 115' ' ' VAL . . . -123.77 55.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 72.540000000000006 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 122' ' ' ARG . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' NE ' ' A' ' 127' ' ' ARG . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.530000000000001 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 130' ' ' PRO . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 73.540000000000006 111.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -46.47 144.52 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.439999999999998 110.298 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 70.510000000000005 110.401 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.545 0.212 . . . . 74.540000000000006 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.19 -177.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.102 . . . . 61.549999999999997 109.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.86 40.99 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.409999999999997 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 44.28 48.57 7.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 71.409999999999997 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.9 t -100.24 155.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.530000000000001 109.277 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -169.19 166.16 10.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 p -108.14 8.3 27.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 51.350000000000001 109.977 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.02 45.66 19.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.105 . . . . 54.43 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -71.28 -176.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 74.230000000000004 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' LEU . 13.5 m -76.77 130.7 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.040000000000006 110.026 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.6 OUTLIER 57.13 162.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.129999999999995 109.341 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 75.299999999999997 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.78 -29.17 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 75.040000000000006 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.767 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.5 t80 -164.45 159.99 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 72.040000000000006 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.5 t0 -128.22 113.87 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 71.530000000000001 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.2 p -65.95 139.81 96.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 73.450000000000003 108.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.96 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 74.219999999999999 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 75.319999999999993 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.799 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.230000000000004 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.039999999999999 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.329999999999998 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.140000000000001 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 72.140000000000001 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.219999999999999 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.299999999999997 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.049999999999997 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.1 p-80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 74.010000000000005 109.615 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 74.349999999999994 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.329999999999998 109.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 71.299999999999997 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.200000000000003 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 74.25 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 75.109999999999999 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 71.010000000000005 109.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 33' ' ' LYS . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.239999999999995 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 62.43 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.530000000000001 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.510000000000005 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 71.329999999999998 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 71.319999999999993 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.409999999999997 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.230000000000004 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 70' ' ' VAL . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.019999999999996 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 75.420000000000002 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.119999999999997 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 71.409999999999997 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 74.400000000000006 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.439999999999998 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.409999999999997 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.120000000000005 110.413 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.495 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.540000000000006 109.965 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.510000000000005 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.140000000000001 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' HD22 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.140000000000001 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.403 ' CD2' ' HD2' ' A' ' 117' ' ' PHE . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.030000000000001 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' HG12 ' A' ' 83' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.566 HG13 ' CH2' ' A' ' 19' ' ' TRP . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.799 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.439999999999998 109.603 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.450000000000003 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.450000000000003 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.010000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.439999999999998 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG12 ' CD1' ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.020000000000003 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.150000000000006 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 94' ' ' THR . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 54.229999999999997 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 74.129999999999995 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.310000000000002 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.210000000000001 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.510000000000005 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 72.420000000000002 111.051 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' HD23 ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 75.450000000000003 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 74.409999999999997 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 72.019999999999996 109.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 62.409999999999997 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.8 p-80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.209999999999994 109.546 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.019999999999996 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.400000000000006 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.532 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.120000000000005 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.409999999999997 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 52.409999999999997 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 27.2 tp60 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.030000000000001 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 73.540000000000006 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.040000000000006 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 114' ' ' THR . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.509 ' N ' ' OG ' ' A' ' 113' ' ' SER . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.439999999999998 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.305 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CE1' HD23 ' A' ' 85' ' ' LEU . 4.2 m-85 -68.65 170.92 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -39.92 -80.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 63.340000000000003 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.495 ' HB1' ' CB ' ' A' ' 66' ' ' SER . . . -74.71 -70.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 75.340000000000003 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -32.79 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 72.010000000000005 110.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' ALA . 18.3 p -72.47 -3.99 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.378 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 121' ' ' THR . 23.8 mmt85 -48.49 177.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 74.540000000000006 110.304 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -135.14 61.95 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 71.5 109.32 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.019999999999996 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.239999999999995 110.371 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.129999999999995 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.420000000000002 111.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.69 129.88 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 71.219999999999999 110.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 110.361 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.465 0.174 . . . . 74.150000000000006 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.71 44.1 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 72.219999999999999 109.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.45 69.98 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.07 116.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 92.3 t 63.81 42.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -70.54 99.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -58.96 165.15 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 61.350000000000001 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.57 63.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 111.0 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -143.55 125.73 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 73.519999999999996 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -109.92 20.4 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 110.028 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -169.03 157.73 7.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 74.329999999999998 109.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.97 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 75.319999999999993 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.93 -31.48 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 75.549999999999997 109.312 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.4 t80 -161.38 169.35 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 74.319999999999993 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.596 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 3.6 t70 -134.94 120.78 19.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.8 p -72.83 139.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 65.439999999999998 108.288 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.05 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 72.340000000000003 110.998 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 75.040000000000006 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.099999999999994 109.278 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 75.019999999999996 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.510000000000005 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 74.430000000000007 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.150000000000006 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.019999999999996 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.450000000000003 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.6 p-80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 75.310000000000002 109.602 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 75.150000000000006 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 124' ' ' TYR . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 75.310000000000002 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 72.510000000000005 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.140000000000001 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 72.200000000000003 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.285 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 75.5 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.239999999999995 110.282 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.209999999999994 109.308 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.040000000000006 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.420000000000002 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.450000000000003 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.631 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.230000000000004 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.030000000000001 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.450000000000003 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.549999999999997 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 65.409999999999997 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 73.439999999999998 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.264 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 75.219999999999999 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.120000000000005 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.200000000000003 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.019999999999996 110.426 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.275 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 109.3 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.219999999999999 109.555 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 75.310000000000002 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.430000000000007 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.310000000000002 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 72.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.475 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.439999999999998 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.120000000000005 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 63.049999999999997 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.319999999999993 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.518 HG11 ' CH2' ' A' ' 19' ' ' TRP . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 71.329999999999998 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.595 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.785 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 72.319999999999993 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.409999999999997 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 75.510000000000005 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.430000000000007 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.109999999999999 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.526 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 74.030000000000001 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.340000000000003 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.319999999999993 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.569 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.510000000000005 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 110.982 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.433 ' CG2' HD23 ' A' ' 85' ' ' LEU . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 74.219999999999999 110.36 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.340000000000003 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.540000000000006 109.303 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.319999999999993 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.140000000000001 109.594 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 74.129999999999995 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.219999999999999 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.519999999999996 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.310000000000002 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.4 tp60 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 72.450000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.209999999999994 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.498 ' N ' ' HG3' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 75.030000000000001 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 73.340000000000003 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 109.253 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 74.129999999999995 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' A' ' 114' ' ' THR . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 73.329999999999998 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' ' OG ' ' A' ' 113' ' ' SER . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.285 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.526 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.5 m-85 -65.66 -177.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 111.016 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -76.46 -79.69 0.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 54.119999999999997 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.82 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 63.140000000000001 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 m -68.84 146.69 52.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.349999999999994 110.026 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -103.94 13.36 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.140000000000001 110.384 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -51.95 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 73.329999999999998 110.28 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -137.82 55.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 74.040000000000006 109.294 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.467 ' CE1' HG22 ' A' ' 31' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 73.400000000000006 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.340000000000003 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.040000000000006 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 73.409999999999997 111.067 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -50.11 152.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 61.450000000000003 110.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 110.387 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.463 0.173 . . . . 73.219999999999999 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.4 169.47 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 73.040000000000006 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.75 58.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 92.83 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 65.209999999999994 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -100.11 -73.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 64.409999999999997 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 56.81 48.29 16.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 73.099999999999994 109.267 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.7 p -73.65 169.5 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 73.409999999999997 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.07 85.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 110.999 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -148.62 179.25 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 73.409999999999997 109.998 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -63.67 122.8 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.109999999999999 110.019 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 163.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 75.519999999999996 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 74.409999999999997 111.028 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.91 -27.79 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 61.140000000000001 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 10.3 t80 -162.41 160.15 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 75.120000000000005 111.036 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -125.71 114.71 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.1 t -69.23 136.66 89.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 71.299999999999997 108.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.0 -161.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 73.140000000000001 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.209999999999994 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.336 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 44.43 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 74.349999999999994 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 74.140000000000001 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.310000000000002 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 72.120000000000005 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.509999999999998 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 74.409999999999997 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.8 p-80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.617 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 73.140000000000001 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.344 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 109.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 74.349999999999994 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 72.340000000000003 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.209999999999994 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 109.286 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 75.25 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.319999999999993 110.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 63.100000000000001 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.439999999999998 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 60.219999999999999 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 74.310000000000002 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.450000000000003 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 109.333 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 72.540000000000006 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.219999999999999 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.319999999999993 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 75.209999999999994 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.310000000000002 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.120000000000005 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 73.150000000000006 110.407 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.329999999999998 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 109.573 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 75.120000000000005 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.230000000000004 110.055 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 75.150000000000006 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' HD22 ' A' ' 50' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.510000000000005 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.540000000000006 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.349999999999994 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.801 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.439999999999998 109.632 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 75.239999999999995 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.405 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.420000000000002 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 73.310000000000002 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 75.030000000000001 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.409999999999997 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 71.519999999999996 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 74.329999999999998 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.55 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 91' ' ' THR . 3.8 m-70 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 110.97 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.310000000000002 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' THR . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.299999999999997 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.109999999999999 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.4 p-80 -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.140000000000001 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.019999999999996 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.510000000000005 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.439999999999998 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.530000000000001 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 71.450000000000003 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 74.049999999999997 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.5 tp60 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 74.219999999999999 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.51 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.349999999999994 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.010000000000005 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.430000000000007 110.997 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.337 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.299999999999997 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 114' ' ' THR . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 70.340000000000003 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 71.319999999999993 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.319999999999993 109.339 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.140000000000001 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.494 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 4.0 m-85 -66.73 172.99 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.549999999999997 110.993 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -43.33 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 71.209999999999994 111.001 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' CB ' ' CB ' ' A' ' 66' ' ' SER . . . -72.96 -70.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 74.109999999999999 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -35.99 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 75.409999999999997 110.04 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 119' ' ' ALA . 22.0 p -70.45 -5.08 26.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.299999999999997 110.389 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 121' ' ' THR . 53.2 mmt-85 -44.19 168.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.439999999999998 110.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 114' ' ' THR . . . -129.14 59.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.219999999999999 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 75.150000000000006 109.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 54.140000000000001 110.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.03 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.299999999999997 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.74 145.94 47.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.25 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 73.329999999999998 110.404 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 73.299999999999997 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.62 169.84 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.78 160.45 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 64.329999999999998 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.45 82.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.63 144.43 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.140000000000001 109.32 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -100.79 -66.88 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 109.27 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -67.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 73.040000000000006 109.979 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.41 123.88 4.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 111.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -106.08 65.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 72.109999999999999 110.021 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -165.71 151.63 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.049999999999997 109.983 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.15 156.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 74.219999999999999 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 74.540000000000006 111.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.7 -16.19 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 74.299999999999997 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 9.8 t80 -171.43 158.52 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 t70 -124.42 110.51 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 54.340000000000003 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 11.9 p -66.91 137.03 94.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 108.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 74.450000000000003 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.714 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.239999999999995 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 63.509999999999998 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 75.400000000000006 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 73.150000000000006 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.239999999999995 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 71.209999999999994 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 72.25 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.2 p-80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 109.599 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 63.229999999999997 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 73.049999999999997 109.285 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.099999999999994 109.297 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.319999999999993 109.338 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.430000000000007 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.510000000000005 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.450000000000003 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 109.334 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 33' ' ' LYS . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.349999999999994 110.271 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 73.019999999999996 109.237 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 74.310000000000002 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 75.230000000000004 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 71.329999999999998 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 73.099999999999994 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 110.316 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.549999999999997 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.409999999999997 109.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.219999999999999 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 71.209999999999994 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.540000000000006 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.120000000000005 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.240000000000002 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.323 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.219999999999999 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.430000000000007 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.548 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.540000000000006 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.340000000000003 110.409 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.549999999999997 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 73.530000000000001 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.299999999999997 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 74.209999999999994 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.140000000000001 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 75.430000000000007 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.310000000000002 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 71.030000000000001 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.430000000000007 109.318 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 19' ' ' TRP . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.219999999999999 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.714 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.310000000000002 109.631 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 74.450000000000003 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.140000000000001 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 109' ' ' ILE . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.400000000000006 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.340000000000003 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.340000000000003 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.604 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.329999999999998 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.443 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 64.120000000000005 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 61.420000000000002 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' HD21 ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 74.340000000000003 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 114' ' ' THR . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.420000000000002 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.571 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 73.329999999999998 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.120000000000005 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.568 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 72.200000000000003 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.530000000000001 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 72.420000000000002 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 73.329999999999998 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.9 tp60 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.209999999999994 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 83' ' ' VAL . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 73.420000000000002 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.430000000000007 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 70.150000000000006 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.119999999999997 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.129999999999995 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 74.239999999999995 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.129999999999995 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -71.33 170.48 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.510000000000005 110.966 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.99 -77.48 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 53.409999999999997 110.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.487 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -44.72 -84.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 64.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -59.88 142.99 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 73.450000000000003 110.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.0 p -102.43 11.13 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 73.120000000000005 110.413 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 42.2 mmt-85 -49.52 179.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.5 110.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.53 59.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 73.310000000000002 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 75.409999999999997 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.209999999999994 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.321 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.219999999999999 110.346 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 130' ' ' PRO . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.420000000000002 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 74.040000000000006 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.409999999999997 111.064 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.04 136.02 52.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.140000000000001 110.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 72.230000000000004 110.34 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.466 0.175 . . . . 73.099999999999994 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.67 134.32 34.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 52.130000000000003 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.27 88.66 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.209999999999994 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.69 79.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.019999999999996 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -128.84 152.53 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -139.46 132.06 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 72.019999999999996 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.8 t -62.32 -74.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 74.010000000000005 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -120.06 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 71.430000000000007 111.001 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -66.83 -175.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 63.509999999999998 110.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -111.89 19.37 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 72.329999999999998 109.968 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.25 158.39 34.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 70.010000000000005 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 74.230000000000004 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.7 -32.24 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.329 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.724 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.5 t80 -166.5 161.58 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 74.310000000000002 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.6 t70 -130.08 117.99 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 71.510000000000005 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -67.55 141.94 95.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.430000000000007 108.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -74.95 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 73.430000000000007 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 65.519999999999996 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.766 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.200000000000003 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.520000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 75.109999999999999 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 73.340000000000003 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 73.310000000000002 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 73.349999999999994 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 70.150000000000006 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.099999999999994 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.040000000000006 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.6 p-80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 73.340000000000003 109.583 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 109.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.329999999999998 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.040000000000006 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.230000000000004 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.109999999999999 109.264 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.219999999999999 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.319999999999993 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CG2' ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.099999999999994 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 74.109999999999999 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.150000000000006 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.219999999999999 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 70.420000000000002 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.540000000000006 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.219999999999999 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.299999999999997 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.430000000000007 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 109.298 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.150000000000006 109.32 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.319999999999993 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 75.420000000000002 110.383 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.109999999999999 109.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.120000000000005 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.420000000000002 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.049999999999997 109.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 74.120000000000005 108.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.409999999999997 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.219999999999999 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.030000000000001 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.400000000000006 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG13 ' CH2' ' A' ' 19' ' ' TRP . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 73.049999999999997 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.766 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.609 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.400000000000006 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 74.030000000000001 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 109' ' ' ILE . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 72.219999999999999 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 94' ' ' THR . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 72.150000000000006 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.109999999999999 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.209999999999994 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.310000000000002 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 109.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.439999999999998 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.5 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.130000000000003 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 85' ' ' LEU . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 74.129999999999995 110.419 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.140000000000001 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 61.43 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.1 p-80 -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.200000000000003 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 74.319999999999993 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.409999999999997 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 64.530000000000001 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 73.120000000000005 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.420000000000002 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.409999999999997 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.532 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.329999999999998 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 74.430000000000007 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.299999999999997 109.294 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.457 ' N ' ' OG ' ' A' ' 113' ' ' SER . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 71.299999999999997 109.321 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.510000000000005 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.591 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 -70.92 156.89 39.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -59.27 -69.28 1.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 111.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 66' ' ' SER . . . -45.13 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 65.450000000000003 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 p -58.41 179.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 110.017 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -137.45 29.16 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 70.120000000000005 110.377 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -75.31 -179.83 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 110.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -138.73 61.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.019999999999996 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 127' ' ' ARG . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.019999999999996 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.239999999999995 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' LYS . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.329999999999998 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 73.519999999999996 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -59.08 153.41 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 74.200000000000003 110.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 110.406 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.568 0.223 . . . . 74.340000000000003 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.54 102.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 127.67 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 71.099999999999994 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.92 41.65 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 70.209999999999994 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -129.17 -67.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 74.5 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -141.01 121.89 14.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 73.430000000000007 109.301 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.4 p -53.91 116.74 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 72.400000000000006 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.27 118.47 1.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 65.219999999999999 110.999 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 p -113.87 50.71 0.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 55.340000000000003 109.995 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -147.62 -175.19 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.530000000000001 109.966 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.68 156.79 0.49 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 109.321 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.94 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 74.25 111.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.8 -26.42 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.420000000000002 109.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 11.5 t80 -164.14 167.57 20.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 111.006 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.3 t0 -133.5 115.87 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.019999999999996 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.8 t -71.01 136.39 84.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 62.119999999999997 108.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.93 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 73.329999999999998 111.018 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.803 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.540000000000006 109.303 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.219999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 73.530000000000001 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.349999999999994 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.230000000000004 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 63.100000000000001 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.200000000000003 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 29.1 p-80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.614 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 74.319999999999993 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 60.43 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.409999999999997 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.329999999999998 109.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 75.049999999999997 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.299999999999997 109.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.200000000000003 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.219999999999999 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.430000000000007 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.400000000000006 110.341 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.409999999999997 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 71.25 109.264 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.349999999999994 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.592 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 70' ' ' VAL . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 62.119999999999997 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CD ' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 72.409999999999997 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 73.049999999999997 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.302 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 75.5 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.37 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.439999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 119' ' ' ALA . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.52 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 62.219999999999999 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.430000000000007 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.409999999999997 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 50' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 72.25 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.450000000000003 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.219999999999999 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.140000000000001 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 19' ' ' TRP . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.109999999999999 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 75.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.803 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.340000000000003 109.567 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.450000000000003 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.409 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.409999999999997 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.319999999999993 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.329999999999998 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 75.5 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 74.150000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.340000000000003 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' HG21 ' A' ' 91' ' ' THR . 0.4 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.349999999999994 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 73.5 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.329999999999998 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.9 p-80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.219999999999999 109.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 72.140000000000001 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 73.430000000000007 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.129999999999995 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 74.140000000000001 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 73.349999999999994 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 74.319999999999993 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.526 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 63.25 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' VAL . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 71.530000000000001 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 74.030000000000001 111.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.129999999999995 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 114' ' ' THR . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 72.209999999999994 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 63.409999999999997 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.427 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.120000000000005 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.6 m-85 -74.81 155.37 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 111.01 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -53.74 -76.79 0.17 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 73.230000000000004 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.52 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -38.54 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 73.140000000000001 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 117' ' ' PHE . 2.0 m -60.92 176.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 72.530000000000001 109.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.6 p -134.72 8.37 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.229999999999997 110.391 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.16 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.301 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -138.26 63.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.420000000000002 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 75.239999999999995 110.98 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.416 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.510000000000005 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.340000000000003 109.333 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.537 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 74.439999999999998 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.430000000000007 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.310000000000002 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.93 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.400000000000006 111.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -48.58 144.14 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 72.129999999999995 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 74.319999999999993 110.432 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.54 0.209 . . . . 44.140000000000001 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.11 133.21 3.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 73.430000000000007 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.51 6.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.42 94.15 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -128.56 140.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.450000000000003 109.281 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -130.84 101.93 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 72.349999999999994 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -143.09 131.69 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 54.399999999999999 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.1 -84.61 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 70.430000000000007 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.33 9.44 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 72.209999999999994 109.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -102.11 119.6 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 73.530000000000001 110.015 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 56.9 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 74.129999999999995 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 63.229999999999997 111.048 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.14 -29.09 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.52 155.62 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.409999999999997 111.06 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.03 113.9 19.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 64.319999999999993 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.577 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.1 p -64.64 142.42 98.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.230000000000004 108.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.01 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 74.030000000000001 111.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.239999999999995 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.200000000000003 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 62.539999999999999 109.278 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 75.510000000000005 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.530000000000001 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.099999999999994 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 72.439999999999998 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.209999999999994 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 65.219999999999999 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 72.439999999999998 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 37.5 p-80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 109.551 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.420000000000002 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.530000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.319 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 73.439999999999998 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.130000000000003 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.109999999999999 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.277 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.409999999999997 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 71.430000000000007 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 72.510000000000005 110.306 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 73.299999999999997 109.33 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.409999999999997 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 75.409999999999997 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.510000000000005 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.120000000000005 110.281 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.209999999999994 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD2' HG13 ' A' ' 70' ' ' VAL . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 71.120000000000005 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 74.109999999999999 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.400000000000006 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.219999999999999 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.200000000000003 109.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.010000000000005 109.251 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 74.299999999999997 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.329999999999998 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 71.140000000000001 110.397 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 71.019999999999996 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 109.608 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 60.210000000000001 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 72.430000000000007 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.130000000000003 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.529 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.519999999999996 109.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG12 ' CZ3' ' A' ' 19' ' ' TRP . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 72.299999999999997 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 73.299999999999997 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.612 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 109.596 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.409999999999997 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.120000000000005 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.219999999999999 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 109' ' ' ILE . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 72.120000000000005 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.200000000000003 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 109.283 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 94' ' ' THR . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 75.200000000000003 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.049999999999997 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.529 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.109999999999999 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.476 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CE1' ' OG ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.310000000000002 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 111.007 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 70.129999999999995 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.209999999999994 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.329999999999998 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.9 p-80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.400000000000006 109.541 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 73.25 109.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 75.519999999999996 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.450000000000003 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.319999999999993 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 71.439999999999998 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.400000000000006 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.557 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 74.409999999999997 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.140000000000001 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.272 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.140000000000001 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.299999999999997 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.456 ' N ' ' OG ' ' A' ' 113' ' ' SER . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 74.450000000000003 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.494 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 -66.69 -171.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -61.61 -74.24 0.41 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 54.409999999999997 111.008 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' A' ' 66' ' ' SER . . . -76.4 -74.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 72.400000000000006 109.296 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -33.28 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 73.0 110.039 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 10.6 p -68.88 -7.66 36.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 110.412 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 121' ' ' THR . 15.0 mmt180 -45.79 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -133.68 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 42.229999999999997 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 123' ' ' ALA . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.140000000000001 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 109.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.109999999999999 110.248 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 64.319999999999993 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.200000000000003 111.053 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -54.57 151.66 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 72.209999999999994 110.28 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 73.230000000000004 110.381 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 74.239999999999995 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.46 161.94 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 75.209999999999994 109.306 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.41 -177.36 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.34 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.310000000000002 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.82 -177.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 74.299999999999997 109.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.62 157.08 47.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -112.08 173.83 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 72.150000000000006 110.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.02 150.16 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 75.230000000000004 110.975 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -91.9 102.77 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 75.530000000000001 109.945 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LEU . 3.8 t -165.06 -179.99 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 61.329999999999998 110.001 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 4.0 mm? -40.73 155.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 75.25 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.774 . . . . 63.240000000000002 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.62 -28.43 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 71.140000000000001 109.286 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.693 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.88 156.75 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 73.349999999999994 111.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -126.09 115.8 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -62.0 143.22 94.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 61.140000000000001 108.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.5 Cg_endo -75.01 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 74.340000000000003 111.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.140000000000001 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.772 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 70.430000000000007 109.314 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.040000000000006 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.439999999999998 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.510000000000005 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 71.25 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 73.230000000000004 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 73.329999999999998 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.0 p-80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 109.601 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.450000000000003 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.230000000000004 109.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.400000000000006 109.356 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 74.030000000000001 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.420000000000002 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 75.439999999999998 109.274 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 74.219999999999999 109.312 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.239999999999995 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 110.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.430000000000007 110.342 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.530000000000001 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.549999999999997 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.693 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 73.219999999999999 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 65.5 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 74.140000000000001 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.439999999999998 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.400000000000006 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.150000000000006 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 109.3 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 109.314 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.209999999999994 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CD2' HD11 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 72.200000000000003 110.413 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 74.200000000000003 109.56 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.439999999999998 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.049999999999997 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.409999999999997 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 72.140000000000001 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 74.120000000000005 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 19' ' ' TRP . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.239999999999995 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 74.510000000000005 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.772 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 109.574 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.349999999999994 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 74.230000000000004 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.239999999999995 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 109' ' ' ILE . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 70.519999999999996 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.310000000000002 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.519999999999996 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.549999999999997 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.329999999999998 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 64.439999999999998 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.569 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.509999999999998 111.011 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.474 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.230000000000004 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.299999999999997 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.030000000000001 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 3.8 p-80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.310000000000002 109.59 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 73.099999999999994 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.430000000000007 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.140000000000001 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.553 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.129999999999995 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.439999999999998 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.209999999999994 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 74.040000000000006 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.4 tp60 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 70.540000000000006 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.519 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.409999999999997 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 71.209999999999994 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 74.109999999999999 109.284 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 114' ' ' THR . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.452 ' N ' ' OG ' ' A' ' 113' ' ' SER . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 62.310000000000002 109.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.6 m-85 -67.57 -179.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 72.25 111.001 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -53.68 -72.49 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 62.039999999999999 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 66' ' ' SER . . . -77.69 -75.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 73.439999999999998 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -35.32 101.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 109.982 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' ARG . 16.9 p -72.12 -4.5 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.129999999999995 110.383 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 121' ' ' THR . 14.2 mmt85 -45.45 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.346 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -132.5 60.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 75.140000000000001 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.400000000000006 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 61.439999999999998 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.239999999999995 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.510000000000005 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo -75.06 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.9 129.42 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.019999999999996 110.295 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 110.386 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.508 0.194 . . . . 75.019999999999996 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.01 139.06 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 72.439999999999998 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.9 134.53 54.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.150000000000006 109.319 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 72.019999999999996 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -88.95 115.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.25 109.331 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -138.79 129.13 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 74.030000000000001 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -154.42 163.88 39.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 110.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.41 153.77 3.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 64.340000000000003 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -80.25 -73.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 73.400000000000006 110.053 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.435 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -170.92 115.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 63.32 110.012 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 10' ' ' SER . 2.5 mm? -126.98 158.21 69.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 70.329999999999998 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 74.430000000000007 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.97 -34.32 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 71.299999999999997 109.264 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 1.3 t80 -171.45 157.19 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -122.01 119.49 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.450000000000003 109.273 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.7 p -69.64 142.31 91.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 108.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.02 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.209999999999994 111.002 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.672 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB2' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 70.329999999999998 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.420000000000002 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 73.230000000000004 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.549999999999997 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.099999999999994 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 71.030000000000001 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 43.8 p-80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.566 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.299999999999997 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.349999999999994 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.439999999999998 109.301 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.209999999999994 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 71.450000000000003 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.450000000000003 109.281 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.099999999999994 109.288 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 110.342 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.25 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.299999999999997 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.505 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.209999999999994 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.319999999999993 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.510000000000005 110.314 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 73.25 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 73.450000000000003 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.040000000000006 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 75.340000000000003 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.030000000000001 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.310000000000002 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.439999999999998 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 72.209999999999994 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.210000000000001 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' A' ' 60' ' ' PHE . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CG2' ' OG ' ' A' ' 120' ' ' SER . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.355 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.150000000000006 109.6 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.109999999999999 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.507 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.140000000000001 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.130000000000003 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 75.530000000000001 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 73.510000000000005 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.442 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 71.150000000000006 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 65.5 109.343 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 88' ' ' LEU . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG13 ' CH2' ' A' ' 19' ' ' TRP . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.530000000000001 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 75.319999999999993 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 109.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.109999999999999 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.510000000000005 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 75.129999999999995 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 109' ' ' ILE . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.329999999999998 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.439999999999998 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 94' ' ' THR . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.25 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 74.400000000000006 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.129999999999995 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.099999999999994 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.230000000000004 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 73.510000000000005 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 62.039999999999999 109.331 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 74.5 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 1.8 p-80 -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.409999999999997 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 71.439999999999998 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 72.510000000000005 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.299999999999997 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 73.150000000000006 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 65.010000000000005 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 65.129999999999995 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.547 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.340000000000003 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.230000000000004 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 74.030000000000001 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 109.327 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 114' ' ' THR . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.400000000000006 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.200000000000003 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.340000000000003 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 45.409999999999997 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' A' ' 124' ' ' TYR . 4.1 m-85 -70.78 166.96 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.019999999999996 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -37.42 -80.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 63.399999999999999 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 66' ' ' SER . . . -71.48 -75.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 70.129999999999995 109.265 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -36.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 63.340000000000003 109.987 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' ARG . 81.3 p -76.56 0.91 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 75.409999999999997 110.411 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 121' ' ' THR . 42.5 mmt-85 -46.93 174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 72.319999999999993 110.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 114' ' ' THR . . . -132.18 60.48 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 73.340000000000003 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.329999999999998 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.42 HG23 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.349999999999994 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' PRO . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.464 ' CB ' ' NZ ' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.030000000000001 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.129999999999995 111.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -48.51 147.44 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 75.340000000000003 110.314 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.519999999999996 110.419 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.498 0.189 . . . . 74.209999999999994 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.33 174.23 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 52.520000000000003 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.14 15.42 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 75.019999999999996 109.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 43.68 51.2 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.305 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 t -108.18 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 70.310000000000002 109.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -159.39 -174.34 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 71.400000000000006 109.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -138.72 172.07 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 72.209999999999994 109.997 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.2 164.38 23.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.498 1.124 . . . . 74.340000000000003 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -89.62 -72.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 63.43 110.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' N ' ' OG ' ' A' ' 9' ' ' SER . 90.3 p -155.95 150.24 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 73.040000000000006 109.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 56.89 164.4 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 64.5 109.268 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 73.450000000000003 111.067 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.24 -33.64 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.297 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -171.22 151.71 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.239999999999995 110.978 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -119.15 116.38 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 75.310000000000002 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.3 p -63.83 140.07 97.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 71.049999999999997 108.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -75.01 -161.87 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.761 . . . . 72.219999999999999 110.981 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.624 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' HG3' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 74.019999999999996 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 72.030000000000001 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 72.439999999999998 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.400000000000006 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 73.400000000000006 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.340000000000003 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.239999999999995 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 73.530000000000001 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.200000000000003 109.585 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.200000000000003 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.040000000000006 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 65.219999999999999 109.289 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 75.329999999999998 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.340000000000003 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 73.109999999999999 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.268 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 109.264 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.319999999999993 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.253 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.516 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 73.5 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.353 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 73.049999999999997 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.109999999999999 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 75.530000000000001 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 72.439999999999998 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.549999999999997 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 61.119999999999997 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 74.299999999999997 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 74.310000000000002 110.387 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.340000000000003 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.099999999999994 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 64.099999999999994 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.411 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 65.010000000000005 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.529 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.450000000000003 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 75.120000000000005 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 71.319999999999993 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 75.5 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 74.450000000000003 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.400000000000006 109.292 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' CH2' ' A' ' 19' ' ' TRP . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.549999999999997 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.624 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.55 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.447 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 75.030000000000001 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.310000000000002 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 109' ' ' ILE . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.140000000000001 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 73.310000000000002 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 109.297 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 74.25 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.239999999999995 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.549999999999997 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.040000000000006 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.568 HG21 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 64.530000000000001 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.568 ' CD2' HG21 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.219999999999999 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 111.006 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.48 ' CG2' HD23 ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 65.099999999999994 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' THR . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.409999999999997 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.310000000000002 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.8 p-80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 72.219999999999999 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.47 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 71.200000000000003 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.569 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.200000000000003 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.530000000000001 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 62.310000000000002 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.9 tp60 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 74.420000000000002 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.319999999999993 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 75.549999999999997 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 109.319 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.119999999999997 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 114' ' ' THR . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.469 ' N ' ' OG ' ' A' ' 113' ' ' SER . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.420000000000002 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 72.040000000000006 109.284 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.149999999999999 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.7 m-85 -74.09 160.05 31.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 73.140000000000001 111.014 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.44 -77.75 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 71.5 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.529 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.46 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 73.340000000000003 109.281 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 175.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 110.05 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.7 p -134.77 14.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.209999999999994 110.402 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -55.76 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 75.299999999999997 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -138.85 62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 63.310000000000002 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 71.510000000000005 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 72.5 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.450000000000003 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.578 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.400000000000006 110.302 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 130' ' ' PRO . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.150000000000006 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 73.430000000000007 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 73.409999999999997 111.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -91.85 146.98 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 110.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 70.5 110.383 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.484 0.183 . . . . 75.109999999999999 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 164.59 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 73.540000000000006 109.27 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.77 154.35 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.230000000000004 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.66 108.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 73.230000000000004 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -108.7 65.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 74.329999999999998 109.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -133.75 116.83 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.319999999999993 109.29 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.8 p -107.08 134.02 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.86 135.95 8.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -58.12 133.66 55.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 64.340000000000003 109.987 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -120.13 178.86 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.040000000000006 109.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 1.8 mm? -74.83 155.74 86.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 109.247 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 73.129999999999995 110.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.82 -23.67 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.409999999999997 109.335 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 6.6 t80 -173.18 166.12 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 73.030000000000001 111.012 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.1 t70 -135.8 115.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -65.29 141.03 98.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.25 108.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.04 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 71.120000000000005 110.995 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 74.049999999999997 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.549999999999997 109.295 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 72.25 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.409999999999997 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.030000000000001 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.310000000000002 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.329999999999998 111.021 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.430000000000007 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.140000000000001 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.0 p-80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.329999999999998 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.275 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 75.239999999999995 109.313 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 54.130000000000003 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.129999999999995 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 75.329999999999998 109.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.262 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.316 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 63.299999999999997 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 73.230000000000004 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.310000000000002 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.140000000000001 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 74.430000000000007 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.430000000000007 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 74.25 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.109999999999999 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.150000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 109.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.130000000000003 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.230000000000004 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 75.019999999999996 110.408 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.099999999999994 109.618 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.439999999999998 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.505 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 73.310000000000002 108.302 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 65.430000000000007 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.219999999999999 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 75.430000000000007 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 74.129999999999995 109.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.349999999999994 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.340000000000003 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.340000000000003 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 72.420000000000002 109.645 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 73.109999999999999 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.019999999999996 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.420000000000002 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.200000000000003 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.531 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 89' ' ' ASN . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 75.409999999999997 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.549999999999997 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.468 ' OG ' ' NE2' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.471 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.400000000000006 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 111.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 70.209999999999994 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' THR . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 73.400000000000006 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 75.439999999999998 109.587 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.140000000000001 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 75.040000000000006 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 74.040000000000006 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 75.430000000000007 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 74.400000000000006 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.109999999999999 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.519999999999996 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.593 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 53.119999999999997 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 83' ' ' VAL . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 72.299999999999997 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 73.519999999999996 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 109.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 71.030000000000001 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 114' ' ' THR . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.420000000000002 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' ' OG ' ' A' ' 113' ' ' SER . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.430000000000007 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.292 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.239999999999995 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.531 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.6 m-85 -66.27 -174.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -56.53 -80.01 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 71.510000000000005 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.505 ' CB ' ' CB ' ' A' ' 66' ' ' SER . . . -73.98 -69.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 73.299999999999997 109.334 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.471 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 1.2 t -35.47 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 65.450000000000003 109.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.3 t -68.23 -7.96 34.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 75.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 121' ' ' THR . 46.1 mmt-85 -45.29 170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 74.010000000000005 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -132.47 61.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 61.32 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.427 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.420000000000002 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.109999999999999 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.540000000000006 109.339 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.049999999999997 110.288 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.219999999999999 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.109999999999999 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.200000000000003 111.047 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -47.64 127.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 62.030000000000001 110.285 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 75.239999999999995 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.518 0.199 . . . . 74.340000000000003 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.66 32.24 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 72.219999999999999 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.13 49.41 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 73.049999999999997 109.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.78 89.44 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.010000000000005 109.296 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -124.65 88.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 74.140000000000001 109.313 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -134.68 85.54 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 71.230000000000004 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 t -115.15 43.07 2.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 72.129999999999995 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.49 -168.82 22.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.995 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.68 109.78 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 74.030000000000001 110.028 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -174.53 -178.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.956 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.48 157.68 0.3 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 71.409999999999997 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 74.299999999999997 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.12 -32.31 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 109.335 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 10.4 t80 -153.83 164.35 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.239999999999995 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 57.6 t0 -137.11 114.6 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.8 p -62.93 139.38 97.4 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 73.219999999999999 108.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.99 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 62.329999999999998 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.109999999999999 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.628 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.049999999999997 109.287 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 74.439999999999998 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 64.420000000000002 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 71.230000000000004 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 74.040000000000006 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 72.439999999999998 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 73.109999999999999 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 49.6 p-80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 73.230000000000004 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.209999999999994 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.273 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 109.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' NZ ' ' NZ ' ' A' ' 36' ' ' LYS . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.310000000000002 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' NZ ' ' NZ ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.120000000000005 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.340000000000003 110.365 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HD3' ' CD2' ' A' ' 28' ' ' HIS . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 75.420000000000002 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.230000000000004 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 71.099999999999994 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.230000000000004 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 63.450000000000003 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 70' ' ' VAL . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.519999999999996 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 75.430000000000007 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.439999999999998 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 75.129999999999995 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 72.25 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.140000000000001 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.539999999999999 109.321 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 73.319999999999993 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 72.329999999999998 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.129999999999995 110.369 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 72.209999999999994 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.219999999999999 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.420000000000002 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.54 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.230000000000004 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.109999999999999 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 75.219999999999999 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.030000000000001 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.019999999999996 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.628 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.652 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.140000000000001 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 74.319999999999993 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 73.140000000000001 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 109' ' ' ILE . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.140000000000001 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.530000000000001 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 61.240000000000002 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 109.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 64.450000000000003 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 62.340000000000003 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.030000000000001 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.571 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.474 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.329999999999998 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 75.430000000000007 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.540000000000006 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 71.5 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.239999999999995 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 74.510000000000005 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 74.439999999999998 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.319999999999993 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 75.109999999999999 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 72.150000000000006 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 27.6 tp60 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.200000000000003 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.601 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.430000000000007 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.439999999999998 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.439999999999998 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.518 ' OG ' ' N ' ' A' ' 114' ' ' THR . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.209999999999994 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.510000000000005 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -75.26 156.66 35.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.519999999999996 111.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.68 -76.11 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 111.041 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.54 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -38.73 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 74.25 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -61.76 176.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 72.510000000000005 110.041 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -137.07 30.99 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.340000000000003 110.397 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 38.0 mmt-85 -72.94 -174.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 72.530000000000001 110.259 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -138.38 58.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 122' ' ' ARG . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 65.349999999999994 110.957 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 110.407 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.109999999999999 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 73.109999999999999 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.0 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 72.040000000000006 111.009 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -72.45 149.61 44.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 110.44 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.528 0.204 . . . . 74.319999999999993 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 150.02 26.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 71.439999999999998 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 84.34 6.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 109.255 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.35 108.04 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.219999999999999 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.23 -55.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 73.549999999999997 109.313 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -144.95 131.59 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 109.273 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -78.5 -72.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 63.350000000000001 110.033 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.99 43.0 8.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 64.340000000000003 110.961 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 p -129.24 97.98 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 65.310000000000002 109.995 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -174.51 169.51 3.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.540000000000006 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.18 159.2 59.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.109999999999999 109.29 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 75.25 110.969 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.44 -31.78 6.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -172.26 153.11 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.099999999999994 111.024 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.42 116.65 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.340000000000003 109.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.6 p -66.21 143.34 98.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 108.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.99 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.778 . . . . 74.230000000000004 111.02 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.526 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.439999999999998 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.409999999999997 109.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 74.400000000000006 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 74.349999999999994 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.540000000000006 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 73.439999999999998 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.239999999999995 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.239999999999995 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 109.605 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.439999999999998 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.329999999999998 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 109.27 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.540000000000006 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 65.25 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.439999999999998 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.129999999999995 109.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.319999999999993 109.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.310000000000002 110.271 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.019999999999996 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.230000000000004 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 74.310000000000002 109.332 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 75.400000000000006 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.310000000000002 109.342 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 73.129999999999995 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 70' ' ' VAL . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.540000000000006 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 52.43 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 72.329999999999998 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.299999999999997 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 74.519999999999996 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.310000000000002 109.292 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.439999999999998 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 75.549999999999997 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.040000000000006 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 64.310000000000002 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.496 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 65.530000000000001 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.219999999999999 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 74.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.484 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 72.530000000000001 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.109999999999999 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.430000000000007 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 73.230000000000004 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.439999999999998 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 64.439999999999998 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 23' ' ' PRO . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.526 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.593 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 72.420000000000002 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.447 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.120000000000005 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.230000000000004 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.230000000000004 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 109' ' ' ILE . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 64.219999999999999 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.52 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.209999999999994 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.200000000000003 109.314 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 61.210000000000001 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.57 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.149999999999999 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.509 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.129999999999995 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 64.310000000000002 111.0 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.432 ' CG2' HD23 ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 74.409999999999997 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 74.099999999999994 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.299999999999997 109.339 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 72.340000000000003 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 4.7 p-80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 109.574 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 73.430000000000007 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.239999999999995 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.409999999999997 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.049999999999997 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.450000000000003 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 75.439999999999998 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 83' ' ' VAL . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.400000000000006 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.229999999999997 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.32 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.239999999999995 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.441 ' N ' ' OG ' ' A' ' 113' ' ' SER . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.099999999999994 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 3.6 m-85 -65.92 175.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.420000000000002 110.968 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -50.14 -78.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 111.004 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 66' ' ' SER . . . -73.9 -69.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 72.239999999999995 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -35.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 71.049999999999997 109.985 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.1 t -67.21 -8.97 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.219999999999999 110.392 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.4 mmt-85 -44.81 169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.409999999999997 110.285 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -131.38 60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 73.019999999999996 109.335 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 110.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.230000000000004 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 73.430000000000007 110.316 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 130' ' ' PRO . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.409999999999997 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.150000000000006 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 63.039999999999999 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -71.0 128.32 35.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 75.409999999999997 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 74.430000000000007 110.433 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.534 0.207 . . . . 74.340000000000003 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.3 168.96 8.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 75.420000000000002 109.338 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.84 109.86 13.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.019999999999996 109.312 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 69.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 75.219999999999999 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.98 151.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 109.285 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.58 79.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 73.150000000000006 109.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -67.16 -58.35 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 63.229999999999997 110.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.68 -176.37 16.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 41.200000000000003 111.059 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -51.77 -68.44 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 73.230000000000004 109.943 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.434 ' N ' ' OG ' ' A' ' 9' ' ' SER . 21.3 m -171.3 118.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 75.450000000000003 110.022 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.02 155.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 75.209999999999994 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 74.540000000000006 110.979 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.32 -23.59 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 109.288 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 12.6 t80 -164.68 165.74 20.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 72.109999999999999 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 6.2 t70 -134.55 111.26 9.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 61.130000000000003 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.2 p -66.61 136.51 94.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 71.450000000000003 108.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.99 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 74.140000000000001 111.038 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.702 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 75.049999999999997 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.540000000000006 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 75.129999999999995 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 73.209999999999994 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.399999999999999 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 61.140000000000001 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 74.420000000000002 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 31.1 p-80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 73.510000000000005 109.591 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.150000000000006 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.420000000000002 109.316 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 124' ' ' TYR . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 70.129999999999995 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.439999999999998 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.109999999999999 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.324 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 71.010000000000005 109.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 73.549999999999997 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.519999999999996 110.31 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.247 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 75.400000000000006 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 70.030000000000001 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.25 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 73.409999999999997 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.010000000000005 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.329999999999998 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 75.109999999999999 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.049999999999997 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.439999999999998 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 63.530000000000001 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 109.273 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.510000000000005 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.299999999999997 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 110.396 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 70.430000000000007 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.420000000000002 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.099999999999994 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.120000000000005 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.43 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 65.230000000000004 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.010000000000005 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.109999999999999 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.427 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.010000000000005 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.219999999999999 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 HG12 ' CH2' ' A' ' 19' ' ' TRP . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 23' ' ' PRO . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 54.340000000000003 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.702 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 75.040000000000006 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.530000000000001 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 71.420000000000002 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 109' ' ' ILE . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.099999999999994 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 71.549999999999997 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.019999999999996 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 74.109999999999999 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 75.010000000000005 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 89' ' ' ASN . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.150000000000006 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 73.120000000000005 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.564 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.200000000000003 111.02 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.459 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.439999999999998 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 75.140000000000001 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.409999999999997 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.299999999999997 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.409999999999997 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.530000000000001 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 72.430000000000007 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.230000000000004 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.209999999999994 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.230000000000004 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 83' ' ' VAL . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 74.230000000000004 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.310000000000002 109.255 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.209999999999994 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.457 ' N ' ' OG ' ' A' ' 113' ' ' SER . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.200000000000003 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.129999999999995 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.010000000000005 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 85' ' ' LEU . 3.8 m-85 -72.84 157.03 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -52.95 -77.24 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 64.040000000000006 110.972 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.69 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 70.450000000000003 109.318 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PHE . 1.5 p -58.04 174.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 110.045 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.0 p -133.92 12.37 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 72.120000000000005 110.41 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -56.91 -172.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 72.140000000000001 110.283 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -140.65 62.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 52.43 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.428 ' CD1' HG21 ' A' ' 31' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.519999999999996 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.439999999999998 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.400000000000006 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.01 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 74.420000000000002 111.027 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -85.35 145.63 27.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 73.109999999999999 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.540000000000006 110.452 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.49 0.186 . . . . 73.430000000000007 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.61 166.34 24.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 64.140000000000001 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.57 168.81 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.400000000000006 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.8 110.93 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.430000000000007 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.0 32.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 109.261 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 48.03 44.52 18.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 72.540000000000006 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -102.87 107.38 18.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 110.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.76 -145.63 8.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.497 1.123 . . . . 75.019999999999996 111.0 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -155.29 -179.88 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 74.140000000000001 110.047 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -61.74 144.43 54.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 75.349999999999994 109.974 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.8 164.31 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 72.340000000000003 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 72.310000000000002 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.9 -28.15 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 74.549999999999997 109.283 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 15.4 t80 -158.62 166.35 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.230000000000004 111.014 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 12.9 t0 -136.36 112.83 9.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 5.4 t -65.0 137.22 97.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 108.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.6 Cg_endo -74.9 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 74.25 111.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 72.530000000000001 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 74.510000000000005 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.319999999999993 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.239999999999995 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 74.209999999999994 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.420000000000002 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.340000000000003 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.120000000000005 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 30.5 p-80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.019999999999996 109.614 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 32' ' ' VAL . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.299999999999997 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' HD13 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 75.329999999999998 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.099999999999994 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.120000000000005 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 74.200000000000003 109.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.319999999999993 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' A' ' 33' ' ' LYS . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.510000000000005 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.140000000000001 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.120000000000005 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.299999999999997 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 71.129999999999995 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 73.329999999999998 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.239999999999995 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 70' ' ' VAL . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 63.119999999999997 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.140000000000001 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 71.120000000000005 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.219999999999999 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.540000000000006 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 72.400000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.019999999999996 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.540000000000006 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 73.140000000000001 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 110.413 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 75.150000000000006 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.230000000000004 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.129999999999995 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.530000000000001 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 119' ' ' ALA . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.988 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.465 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 108.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.040000000000006 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 52.539999999999999 109.26 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG13 ' CH2' ' A' ' 19' ' ' TRP . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 73.209999999999994 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.129999999999995 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.420000000000002 109.554 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 74.200000000000003 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.120000000000005 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.010000000000005 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 109' ' ' ILE . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 70.219999999999999 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.503 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 75.439999999999998 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.439999999999998 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.019999999999996 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 73.409999999999997 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 75.030000000000001 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.583 ' CD2' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.099999999999994 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.099999999999994 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 74.209999999999994 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 61.039999999999999 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.261 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.130000000000003 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 2.1 p-80 -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.420000000000002 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.420000000000002 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.329999999999998 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 75.150000000000006 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.239999999999995 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.340000000000003 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 2.9 m-70 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.340000000000003 109.611 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.310000000000002 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.340000000000003 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.430000000000007 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.503 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 83' ' ' VAL . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 72.409999999999997 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 72.239999999999995 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 74.239999999999995 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' A' ' 114' ' ' THR . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.140000000000001 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.511 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.2 m-85 -77.58 153.45 33.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.010000000000005 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.18 -70.26 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 111.042 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 66' ' ' SER . . . -45.13 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 73.099999999999994 109.324 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 121' ' ' THR . 1.5 t -60.69 172.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.409999999999997 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.403 ' N ' ' OG ' ' A' ' 120' ' ' SER . 18.9 p -127.57 9.98 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 74.450000000000003 110.397 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.411 ' NH2' HG22 ' A' ' 38' ' ' ILE . 16.8 mmt180 -56.1 -179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 110.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -139.28 64.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.009999999999998 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 63.039999999999999 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 112' ' ' ASP . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 72.129999999999995 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.553 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 110.317 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 130' ' ' PRO . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 73.430000000000007 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 73.439999999999998 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -63.48 136.53 57.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 110.39 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.455 0.169 . . . . 74.319999999999993 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.01 -11.11 19.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 72.420000000000002 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.65 51.8 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.439999999999998 109.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.05 88.94 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 74.140000000000001 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.63 -58.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 70.519999999999996 109.281 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -75.52 141.41 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 109.334 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.4 p -128.13 46.99 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 110.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.86 -179.88 52.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 63.219999999999999 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.5 166.75 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 61.210000000000001 109.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 p -114.19 159.3 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 72.25 109.994 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.94 164.34 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 71.5 109.317 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 74.450000000000003 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.98 -28.66 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 73.400000000000006 109.295 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.668 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -171.99 167.88 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.319999999999993 111.033 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 8.1 t0 -135.26 124.31 24.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 64.010000000000005 109.313 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.9 p -72.08 140.32 82.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 108.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.4 Cg_endo -74.98 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 73.120000000000005 111.023 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.230000000000004 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.679 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 75.200000000000003 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.420000000000002 109.246 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.349999999999994 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' CE ' ' HE3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.230000000000004 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.219999999999999 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' CD ' ' OH ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 75.140000000000001 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.430000000000007 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.020000000000003 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.519999999999996 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 38.0 p-80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.566 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 109.296 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 109.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.430000000000007 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.230000000000004 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.439999999999998 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 64.120000000000005 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 65.109999999999999 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 62.25 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.239999999999995 109.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 74.319999999999993 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 75.230000000000004 110.26 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.540000000000006 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' HE3' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.099999999999994 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.349999999999994 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 73' ' ' ALA . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.540000000000006 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.329999999999998 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.209999999999994 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 74.049999999999997 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.306 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 72.140000000000001 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 73.439999999999998 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.400000000000006 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 74.310000000000002 110.435 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 71.510000000000005 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.219999999999999 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.507 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.340000000000003 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.540000000000006 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 63.119999999999997 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.099999999999994 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.527 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 74.25 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.399999999999999 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' PHE . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 75.099999999999994 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.679 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.200000000000003 109.636 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.319999999999993 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 73.019999999999996 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 73.019999999999996 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.319999999999993 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 109' ' ' ILE . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.129999999999995 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD2' ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 94' ' ' THR . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.430000000000007 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.400000000000006 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.527 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.492 ' CG2' ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.510000000000005 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.209999999999994 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 71.239999999999995 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.510000000000005 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 60.030000000000001 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.340000000000003 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.319999999999993 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 74.120000000000005 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.450000000000003 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 74.25 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.540000000000006 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.239999999999995 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.540000000000006 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.120000000000005 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 71.510000000000005 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.519999999999996 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 74.340000000000003 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.129999999999995 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' ' N ' ' A' ' 114' ' ' THR . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.329999999999998 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 113' ' ' SER . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.099999999999994 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.130000000000003 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.516 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.4 m-85 -67.34 -173.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.053 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.66 -75.53 0.25 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 54.420000000000002 110.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 66' ' ' SER . . . -76.4 -74.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 74.439999999999998 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -34.12 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 72.239999999999995 110.022 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.3 p -73.33 -3.03 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 75.439999999999998 110.391 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -47.37 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 70.319999999999993 110.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -134.76 62.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.319999999999993 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 71.239999999999995 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 74.430000000000007 109.275 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.571 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.230000000000004 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.03 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.149999999999999 110.965 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -61.08 137.26 58.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 110.273 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 110.375 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 70.510000000000005 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.97 114.63 9.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.310000000000002 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.63 121.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 70.430000000000007 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.71 51.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.340000000000003 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 m -51.91 122.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 75.310000000000002 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -172.48 138.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.519999999999996 109.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -170.74 171.83 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 63.049999999999997 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 -148.25 4.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 63.219999999999999 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -102.2 164.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 72.150000000000006 110.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 m -171.93 -177.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 64.430000000000007 110.009 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.95 160.92 13.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 73.530000000000001 109.295 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 74.329999999999998 111.022 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.85 -29.83 7.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 1.4 t80 -167.94 154.23 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 72.329999999999998 111.015 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.52 113.39 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 63.350000000000001 109.311 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -62.65 141.86 96.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 74.200000000000003 108.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 18.3 Cg_endo -74.97 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 64.430000000000007 111.018 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.349999999999994 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.040000000000006 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 74.109999999999999 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 75.109999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 55.32 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.120000000000005 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 75.219999999999999 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.099999999999994 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.450000000000003 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 39.7 p-80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 109.587 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.150000000000006 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 109.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.530000000000001 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.129999999999995 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.099999999999994 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.120000000000005 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 73.010000000000005 109.295 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.450000000000003 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 65.439999999999998 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 126' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.439999999999998 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 72.420000000000002 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.109999999999999 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.319999999999993 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.010000000000005 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.540000000000006 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 75.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 69' ' ' ARG . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.372 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 71.430000000000007 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 73.25 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.430000000000007 109.616 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 119' ' ' ALA . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 62' ' ' ILE . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.319999999999993 108.298 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 71.340000000000003 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 109.307 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.109999999999999 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.319999999999993 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.338 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' CH2' ' A' ' 19' ' ' TRP . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.140000000000001 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.010000000000005 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.609 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.444 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.349999999999994 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 74.310000000000002 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 109' ' ' ILE . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.439999999999998 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 72.040000000000006 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.319999999999993 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.281 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 72.530000000000001 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 89' ' ' ASN . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.450000000000003 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.400000000000006 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 71.400000000000006 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 54.509999999999998 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 72.340000000000003 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.109999999999999 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.109999999999999 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 63.100000000000001 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 1.9 p-80 -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.100000000000001 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.209999999999994 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 64.299999999999997 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.200000000000003 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.030000000000001 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.340000000000003 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 74.299999999999997 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.200000000000003 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 108' ' ' GLN . 26.8 tp60 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.569 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.230000000000004 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.530000000000001 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 114' ' ' THR . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.450000000000003 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.409999999999997 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.209999999999994 109.269 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.329999999999998 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -69.98 166.09 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.219999999999999 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -38.59 -77.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 64.430000000000007 111.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.508 ' CB ' ' CB ' ' A' ' 66' ' ' SER . . . -75.41 -70.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 65.430000000000007 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.451 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -35.89 97.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.519999999999996 109.997 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' ALA . 46.2 p -70.0 -5.94 29.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.439999999999998 110.457 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 121' ' ' THR . 17.5 mmt180 -45.34 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 72.430000000000007 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 114' ' ' THR . . . -131.02 60.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.239999999999995 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.432 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.409999999999997 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 43' ' ' ILE . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.430000000000007 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 110.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' PRO . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 75.129999999999995 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 72.219999999999999 110.96 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 149.53 24.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 75.140000000000001 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.549999999999997 110.382 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.424 . . . . 75.03 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.13 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.576 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.41 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.13 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 70.41 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 73.23 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.614 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.1 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.31 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 65.13 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.52 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 71.32 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.03 109.627 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 63.41 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.735 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.01 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.67 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.54 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 61.32 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.3 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.21 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 61.44 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 70.51 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.803 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 65.24 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.558 ' O ' HD11 ' A' ' 37' ' ' LEU . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.52 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 70.3 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.821 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.44 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.53 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 53.03 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 63.15 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.21 110.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.2 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.15 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.24 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.03 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD23 HG13 ' A' ' 70' ' ' VAL . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 52.23 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.05 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 52.51 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.41 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.23 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.34 109.345 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.14 109.298 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 50' ' ' LEU . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 63.01 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.44 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.12 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 41.15 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.45 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.12 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.43 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 71.13 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.469 ' O ' HG21 ' A' ' 91' ' ' THR . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.55 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.43 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.23 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.44 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG12 HD12 ' A' ' 88' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 41.5 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.11 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.12 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.885 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.1 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.24 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 1.1 t60 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.14 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.13 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.31 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 62.03 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.32 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.44 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.32 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.41 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.32 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 43.24 109.331 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.03 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.545 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.01 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.33 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.613 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 54.22 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.792 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.13 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.792 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.42 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 31.45 110.971 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 64.41 110.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 71.22 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.51 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.12 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 71.12 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.14 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.1 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.44 109.305 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 71.12 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 52.23 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.3 m80 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.1 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.35 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' HD22 ' A' ' 101' ' ' LEU . 3.6 tp-100 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 62.32 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 65.12 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 62.11 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 61.41 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 54.14 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 60.42 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.04 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.899 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 63.14 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 63.1 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.11 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.34 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.899 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 71.14 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 115' ' ' VAL . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.23 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.23 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 63.33 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.41 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.02 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.04 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.665 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.974 -0.433 . . . . 74.41 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 65.44 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.597 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.33 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.34 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.33 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.44 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.41 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 73.43 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.23 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.53 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.1 109.587 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.22 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.44 109.352 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.614 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 65.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.04 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.35 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 51.33 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 72.53 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.44 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.44 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.819 HD11 ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.54 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.33 110.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.3 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.847 HD13 ' CE2' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 64.34 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.04 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.02 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 70.1 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 61.41 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.54 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.638 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.13 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.31 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.24 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.44 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.12 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 53.25 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.41 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 70.55 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.1 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.24 109.254 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.03 109.316 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' A' ' 70' ' ' VAL . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.14 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 62.32 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.847 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.22 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.12 110.437 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 70.04 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.31 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.33 109.598 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 61.42 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.04 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 52.53 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.42 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.42 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.58 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.23 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 64.11 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.53 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.11 109.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.829 HD11 HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 55.14 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.716 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.44 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.597 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.53 109.601 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.22 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 62.31 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 72.32 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.42 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.11 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 74' ' ' LEU . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 63.44 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' N ' HG12 ' A' ' 83' ' ' VAL . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.54 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.35 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.54 109.306 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.805 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.52 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 70' ' ' VAL . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.1 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 61.33 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 35.51 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.816 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.12 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.816 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 63.41 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.34 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.14 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.22 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 113' ' ' SER . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.13 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.31 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.52 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.803 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.14 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 52.04 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.3 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.42 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.22 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 63.02 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.04 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.867 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.5 tp-100 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.55 110.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.699 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 65.1 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 70.12 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.2 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.42 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.24 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 96' ' ' LEU . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 53.13 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 74.21 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.11 109.294 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.12 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.21 110.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.324 -0.621 . . . . 54.33 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.22 111.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.01 110.421 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 54.12 109.326 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.45 110.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HB2' HD12 ' A' ' 111' ' ' ILE . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.32 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 64.33 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 73.54 111.036 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.03 -0.412 . . . . 74.2 111.03 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.41 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 72.15 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.41 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.12 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 72.22 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.43 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.642 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.21 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 73.21 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.05 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.54 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 7.0 p80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.32 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.41 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.41 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 71.22 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 54.22 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HB3' HD11 ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.45 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.52 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' C ' HG13 ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 72.54 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.646 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.54 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.44 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.11 110.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.33 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.3 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.714 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.41 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.54 109.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.35 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 65.4 110.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 63.34 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.22 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.34 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.619 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 62.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.542 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 71.41 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.24 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.11 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 33.31 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.2 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 55.22 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 73.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 70' ' ' VAL . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.41 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.22 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 53.12 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.4 110.448 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.14 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.52 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.02 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.41 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.549 ' O ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.34 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.23 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 60.31 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.45 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 63.33 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.53 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 61.4 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.1 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.888 HD11 HG11 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 44.13 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 74' ' ' LEU . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.1 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 63.44 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 44.22 109.628 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.51 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.11 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.23 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.32 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.44 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.888 HG11 HD11 ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.11 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 72.14 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.22 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.32 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.41 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 55.52 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 73.44 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.898 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.52 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.898 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.13 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 60.43 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 54.04 110.378 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 52.25 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 113' ' ' SER . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.52 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 51.31 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.42 109.596 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.22 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.12 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 73.42 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.52 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.41 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.14 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 45.45 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.44 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' HG2' HD22 ' A' ' 101' ' ' LEU . 2.9 tp-100 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.12 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.738 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 62.51 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 108' ' ' GLN . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 72.52 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 72.42 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 126' ' ' LEU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.31 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 33.31 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 96' ' ' LEU . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 61.44 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 62.42 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.32 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.711 ' N ' HG23 ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 53.03 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.41 111.027 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.634 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.33 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.406 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 60.44 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.53 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.401 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 72.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.476 ' HB2' HD12 ' A' ' 111' ' ' ILE . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.43 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 64.14 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 61.22 111.043 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.614 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.01 -0.419 . . . . 74.22 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 55.2 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.23 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.44 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.04 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.33 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.14 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 64.33 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.11 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.12 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.05 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 71.53 109.615 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 126' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 61.14 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 72.31 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.4 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CG ' HD11 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 65.5 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.2 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 52.52 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 73.31 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 65.52 109.344 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.499 HD11 ' CG ' ' A' ' 33' ' ' LYS . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.24 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 44.45 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 55.41 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.51 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.04 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 52.34 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 55.21 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.34 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.41 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 53.02 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.23 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.42 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 70' ' ' VAL . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.24 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 61.12 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.44 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 61' ' ' THR . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 73.31 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 52.24 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.53 ' OD2' HD23 ' A' ' 57' ' ' LEU . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 64.11 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.12 109.278 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PRO . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.44 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.41 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.41 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.12 110.413 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.34 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.45 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.15 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.13 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.53 109.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.51 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 54.33 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.5 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.11 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.14 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 44.13 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 21.01 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 43.44 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 75' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.54 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.825 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 62.14 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.43 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.603 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.44 109.603 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.42 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.45 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.45 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 74.23 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.41 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG11 HD11 ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.02 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.15 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.45 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 50.55 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 42.3 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.31 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.449 ' HG ' ' HE2' ' A' ' 71' ' ' HIS . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.21 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.837 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 71.33 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.837 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.44 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 63.14 111.051 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 74.53 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.32 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.772 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.22 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 54.33 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.21 109.546 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.02 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.769 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.22 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 54.22 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.44 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.12 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.41 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.12 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 35.42 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.962 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.7 tp-100 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 63.11 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.649 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.03 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 65.54 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 51.23 110.991 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 64.13 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.04 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.772 ' OG ' HD11 ' A' ' 96' ' ' LEU . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.12 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.636 HG23 ' HB1' ' A' ' 123' ' ' ALA . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.44 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.21 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 71.22 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.2 110.981 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.636 ' HB1' HG23 ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 61.33 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.02 110.993 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.24 110.371 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.43 110.27 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.13 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.24 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.42 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 110.998 -0.424 . . . . 72.34 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.23 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 72.4 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.592 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.34 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 74.53 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.596 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.51 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.808 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 64.34 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.15 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.02 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.808 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.45 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.42 109.602 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.726 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 72.03 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.726 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.41 109.299 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.643 ' O ' HD22 ' A' ' 37' ' ' LEU . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 65.15 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 64.44 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.836 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.24 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.14 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 64.23 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' C ' HG13 ' A' ' 32' ' ' VAL . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.31 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 50.42 109.285 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.836 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.24 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.24 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.21 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.04 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.764 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.45 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.33 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.592 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.51 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.33 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.23 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.03 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.13 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.45 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.55 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 62.23 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 72.43 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' HD23 ' A' ' 57' ' ' LEU . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.43 109.264 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 63.23 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' A' ' 70' ' ' VAL . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.43 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.12 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.784 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.2 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.02 110.426 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.31 109.275 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 62.21 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.0 109.555 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 71.33 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.43 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.472 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.31 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 64.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.55 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.589 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 73.21 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 70.13 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.12 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 53.03 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.883 HD23 ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.32 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.883 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.11 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.34 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.588 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 1.1 t60 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 71.11 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.51 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.427 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.41 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 70.12 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 71.05 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.43 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 74' ' ' LEU . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.11 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.869 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 65.04 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.1 109.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.34 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.32 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 61.44 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.804 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.51 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.804 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 72.3 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.33 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 71.42 110.36 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 73.53 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.54 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.32 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.14 109.594 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 70.3 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 72.45 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 63.14 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.22 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.3 m80 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.23 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.52 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.31 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.645 ' HG2' HD22 ' A' ' 101' ' ' LEU . 2.9 tp-100 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.33 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.13 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 73.34 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 64.24 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 128' ' ' GLU . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.23 109.253 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 71.45 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 96' ' ' LEU . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 72.4 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' LEU . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.22 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 71.22 109.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.04 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.869 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.23 111.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 74.04 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 115' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 64.55 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.34 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.53 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.852 ' HB2' HD12 ' A' ' 111' ' ' ILE . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.22 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.04 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 70.23 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.986 -0.428 . . . . 64.12 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.11 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.605 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.21 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 45.13 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 43.12 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 73.33 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 51.02 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.31 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 61.42 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.51 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 61.25 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.54 109.617 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 62.32 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.742 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.52 109.344 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 62.33 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.3 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.754 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 71.32 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 53.2 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.21 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 73.42 109.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.11 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 45.41 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.32 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.856 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 60.42 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.11 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 45.53 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.43 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.15 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.12 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.33 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.42 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD23 HG13 ' A' ' 70' ' ' VAL . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 54.45 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.13 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.22 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 73.43 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.32 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' C ' HD23 ' A' ' 57' ' ' LEU . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 72.44 109.319 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 71.21 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 62.31 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.856 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.12 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 72.35 110.407 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 63.22 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.33 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.43 109.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.21 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.23 110.055 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 70.45 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 62.34 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.31 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 88' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.51 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.54 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.33 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.864 HD11 HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.35 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.729 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 62.41 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 64.35 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.605 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.44 109.632 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.15 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.32 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 62.23 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 71.44 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 64.25 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 61.53 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 60.03 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.41 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.14 109.266 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.713 ' OD2' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.22 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.605 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 72.1 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 70.31 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.33 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.615 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 51.21 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.615 ' ND1' HG23 ' A' ' 91' ' ' THR . 1.9 m80 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.53 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.22 110.97 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.445 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.31 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 50.03 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 109' ' ' ILE . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.3 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.11 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.14 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.02 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.777 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.51 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.44 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.619 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.53 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.04 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 63.34 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 72.31 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.924 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 tp-100 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 70.22 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.651 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.35 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.01 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.43 110.997 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 126' ' ' LEU . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 62.42 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.3 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.603 ' OG ' HD11 ' A' ' 96' ' ' LEU . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 64.23 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.718 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 63.35 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG21 HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.32 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.14 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.895 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.11 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.718 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 74.52 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 54.45 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.22 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 70.44 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 52.11 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.01 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 65.54 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.3 111.004 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.98 -0.431 . . . . 74.45 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.4 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.24 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 71.45 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 51.02 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 73.42 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 72.22 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.24 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 52.13 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' HZ3' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 62.23 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 54.04 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.34 109.599 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 62.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 72.11 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.661 ' O ' HD22 ' A' ' 37' ' ' LEU . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.1 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.411 HG22 HD22 ' A' ' 37' ' ' LEU . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.32 109.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' HD11 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.43 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.51 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 71.25 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.32 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 72.01 109.334 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 37' ' ' LEU . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 72.2 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.35 110.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.641 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 61.04 109.237 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 63.24 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 55.42 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 64.43 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.03 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.14 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.845 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.41 109.308 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 71.44 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 73.35 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.33 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.51 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 64.15 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.42 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.12 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.24 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.42 109.323 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.21 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.841 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.54 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.34 110.409 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.55 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 54.15 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.3 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 60.24 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 63.32 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 53.1 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 74.45 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.31 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.657 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 64.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.31 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.43 109.318 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.831 HD11 HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 71.42 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.802 ' N ' HD23 ' A' ' 74' ' ' LEU . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.22 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 27' ' ' LEU . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 72.04 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.03 109.631 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 61.34 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.11 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 52.23 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.11 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG11 HD11 ' A' ' 74' ' ' LEU . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.4 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.51 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.902 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.34 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.34 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.734 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.21 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 70' ' ' VAL . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.33 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 43.35 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.41 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.856 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 61.21 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.856 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.23 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 52.12 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.35 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.5 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.33 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.44 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.42 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 72.11 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.758 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.33 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.3 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.12 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.614 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 63.32 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.53 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 60.24 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 65.43 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.78 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 tp-100 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.22 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.676 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.21 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 54.34 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.34 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 128' ' ' GLU . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 64.13 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.12 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.632 ' OG ' HD11 ' A' ' 96' ' ' LEU . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.13 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 73.1 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.31 109.29 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.13 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.902 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.24 110.966 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.514 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.252 -0.647 . . . . 73.31 109.252 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.543 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 74.33 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.21 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 72.03 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 71.2 110.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.744 ' HG3' HD23 ' A' ' 27' ' ' LEU . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.42 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.611 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 70.24 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.23 111.064 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.624 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.983 -0.43 . . . . 71.2 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 63.12 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.564 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.2 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.52 109.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 63.24 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 71.44 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 55.21 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 72.42 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 55.44 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.1 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 128' ' ' GLU . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.04 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 60.54 109.583 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.642 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 64.41 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.623 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 72.15 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.22 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.781 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.33 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.04 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.23 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.11 109.264 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.12 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.587 ' OE2' HD21 ' A' ' 41' ' ' LEU . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 64.15 110.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.893 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 52.21 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.32 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.772 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.33 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.51 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 54.43 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.63 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 72.44 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.15 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 63.41 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.22 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 55.14 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.54 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 61.52 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 61' ' ' THR . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.22 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.3 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.43 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.11 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.15 109.32 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.13 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.05 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.893 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.11 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 63.02 110.383 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 67' ' ' CYS . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.12 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.42 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 91' ' ' THR . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.05 109.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' HG21 ' A' ' 62' ' ' ILE . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.33 108.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.41 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 71.44 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.34 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.03 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 71.42 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.916 HD11 HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.4 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.624 HG11 ' CG ' ' A' ' 17' ' ' PRO . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 63.52 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 73.01 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.564 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.2 109.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.4 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.43 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.31 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.11 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.916 HG11 HD11 ' A' ' 74' ' ' LEU . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 61.13 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.14 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 71.35 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.11 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.21 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 70' ' ' VAL . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.04 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m120 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 61.21 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.44 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.922 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.13 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.922 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.23 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.12 111.0 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 63.22 110.419 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.14 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD11 ' OG ' ' A' ' 113' ' ' SER . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 42.35 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.13 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.2 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.42 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.749 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 73.51 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.865 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.01 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.14 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 52.12 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.12 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 71.52 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.42 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.865 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.41 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.23 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.41 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 71.14 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 126' ' ' LEU . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 72.51 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 72.35 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.814 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.14 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.14 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 61.21 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.51 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.786 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.31 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.326 -0.62 . . . . 70.24 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.02 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 65.42 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.02 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.43 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.24 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 27' ' ' LEU . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 52.21 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.628 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 63.34 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 64.41 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.71 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 73.33 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 65.43 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.54 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.24 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 63.23 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.35 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.23 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 34.4 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.2 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.02 109.614 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.14 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.695 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 71.53 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.42 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.539 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 42.31 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.11 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.41 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.12 109.323 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 64.03 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.44 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.742 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 71.25 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.3 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.833 HD13 ' CE2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.2 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.24 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 53.15 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.43 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 43.32 110.341 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.41 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 62.11 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.35 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.706 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 70' ' ' VAL . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.31 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.54 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 53.4 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.726 HH21 HH11 ' A' ' 69' ' ' ARG . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 71.32 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 64.24 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 44.14 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.43 109.302 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 70.54 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.52 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 72.02 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.833 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.45 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 70.14 110.37 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 71' ' ' HIS . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.4 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.44 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 71.52 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.31 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.13 109.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.5 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 45.14 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 60.51 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.726 HH11 HH21 ' A' ' 53' ' ' ARG . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 71.53 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.44 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 71.14 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.45 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.22 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.85 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.14 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.831 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.42 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.52 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.603 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.34 109.567 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.45 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.21 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.35 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.44 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.85 HG11 HD11 ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.32 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.04 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.33 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.14 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.23 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 70' ' ' VAL . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 72.03 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 45.14 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 52.25 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.863 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.33 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.863 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.4 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.35 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 62.11 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 63.22 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 52.14 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 52.5 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.22 109.59 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 61.04 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 71.44 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.96 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.13 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 52.33 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 62.52 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.2 m80 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.21 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 62.21 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 73.53 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.96 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.23 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.742 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 61.54 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 108' ' ' GLN . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 34.4 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 51.32 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.497 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 73.1 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.13 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 71.2 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.51 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 53.42 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.12 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.889 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 61.43 111.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 44.04 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 70.45 110.98 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.51 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.34 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.55 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.4 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.43 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.31 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.4 111.06 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.676 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.017 -0.417 . . . . 74.03 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.24 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.2 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 40.44 109.278 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 74.22 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.53 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.1 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.743 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 62.55 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.21 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 45.41 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 71.52 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.23 109.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.42 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.816 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.53 109.304 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.756 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.15 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.02 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HB3' HD11 ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.3 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.13 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.11 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' HG13 ' A' ' 32' ' ' VAL . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.41 109.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.41 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 64.22 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 70.54 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 71.24 109.33 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.877 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.23 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 51.03 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.32 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.51 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.12 110.281 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.32 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.735 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.21 109.308 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.55 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 63.44 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.43 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.22 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 43.45 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.888 HH21 HH11 ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 62.01 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.4 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.22 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.2 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 71.05 109.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.02 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 63.41 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.877 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.33 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 62.34 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 63.22 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 61.33 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.2 109.608 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 54.03 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 44.12 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 64.54 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.888 HH11 HH21 ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 74.21 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 44.13 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 65.33 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.52 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.13 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.745 ' N ' HD23 ' A' ' 74' ' ' LEU . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 65.32 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.678 ' CE1' HD13 ' A' ' 27' ' ' LEU . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.32 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.51 109.596 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.14 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.459 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.12 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.34 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.22 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.52 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 74' ' ' LEU . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 65.53 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.21 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.805 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.2 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.13 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 64.2 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 71.35 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.21 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.553 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.11 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.908 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.23 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.908 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.31 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 44.41 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 54.33 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.21 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 41.52 109.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.33 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.4 109.541 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.11 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 71.51 109.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 72.02 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.23 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.12 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 65.11 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.602 ' HG2' HD22 ' A' ' 101' ' ' LEU . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.4 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.586 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 63.11 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.13 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.14 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.35 109.272 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.02 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.3 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.663 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.33 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.32 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.2 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.805 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.21 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.663 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.625 . . . . 34.42 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 64.24 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.14 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.15 109.292 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.11 110.248 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.575 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 52.1 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.25 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.2 111.053 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.022 -0.415 . . . . 74.34 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.14 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.572 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.31 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 65.33 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.34 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.04 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.44 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.51 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 70.41 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 55.24 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 51.41 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.1 109.601 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.45 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.678 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.4 109.356 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 31.31 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.54 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 44.14 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.42 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 74.53 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 73.13 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 33' ' ' LYS . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.24 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HD21 ' A' ' 41' ' ' LEU . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.42 110.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.32 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.31 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.03 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 54.22 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.51 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.43 110.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.602 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 51.23 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 72.21 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 64.31 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.602 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.41 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 70' ' ' VAL . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 63.22 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.6 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 73.41 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 72.33 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.604 ' O ' HG22 ' A' ' 61' ' ' THR . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.44 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.4 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.15 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' C ' HD23 ' A' ' 57' ' ' LEU . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.05 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.21 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.21 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.13 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 61.3 110.413 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.22 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 70.3 109.56 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.32 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' CYS . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.44 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.43 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.05 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.41 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 30.54 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 65.5 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.12 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 72.24 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG11 ' CG ' ' A' ' 17' ' ' PRO . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.24 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 60.43 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.572 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 70.41 109.574 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.35 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 55.52 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.35 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.33 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.24 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 55.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 64.45 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.787 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.35 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.52 109.299 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.813 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.55 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 70' ' ' VAL . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.33 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.32 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 44.23 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.34 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.42 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.51 111.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.419 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.23 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.01 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.754 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.03 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 71.23 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.21 109.59 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.45 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.787 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 62.24 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.14 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.42 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.13 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.44 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.21 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 54.32 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.909 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.0 tp-100 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 51.32 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.603 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.13 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.41 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 60.43 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 126' ' ' LEU . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 72.25 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.01 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.754 ' OG ' HD11 ' A' ' 96' ' ' LEU . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.22 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.827 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.41 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 25.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.2 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.787 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 71.23 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.827 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 65.44 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.24 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 51.41 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.24 109.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.407 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 70.3 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.51 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.12 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.002 -0.422 . . . . 60.42 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.43 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.23 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.14 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 64.33 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.42 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 60.14 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.658 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.55 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.13 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.1 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 60.01 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.21 109.566 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.3 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.744 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.44 109.301 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD22 ' A' ' 37' ' ' LEU . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.53 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.811 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.21 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 51.43 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 63.03 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 32' ' ' VAL . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.45 109.281 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.811 HD11 ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 72.24 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' HD11 ' A' ' 37' ' ' LEU . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.43 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.12 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.3 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.23 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.21 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' HG22 ' A' ' 42' ' ' ILE . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.51 110.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.1 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 71.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 73.33 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.583 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.04 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 61.22 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.415 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.4 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.2 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.13 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.03 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.504 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 64.41 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.4 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.21 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.8 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.11 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 61.23 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 71' ' ' HIS . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 53.5 109.355 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.13 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.15 109.6 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.11 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' CYS . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.14 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.13 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 64.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.43 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.574 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.04 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 62' ' ' ILE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 65.05 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 51.22 109.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.4 109.269 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 83' ' ' VAL . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 53.01 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.572 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.53 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.65 ' CE1' HD13 ' A' ' 27' ' ' LEU . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 54.44 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.52 109.569 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 62.41 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 64.5 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 34.44 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 65.43 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 74' ' ' LEU . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.25 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.31 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.15 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.51 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 71.24 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.491 HD12 HG12 ' A' ' 70' ' ' VAL . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.13 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.04 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.1 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.15 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.23 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.42 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 63.53 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.13 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.594 HD11 ' OG ' ' A' ' 113' ' ' SER . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 54.31 109.331 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 64.42 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.41 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.12 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.729 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 63.2 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.12 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.12 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 64.13 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.3 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 71.45 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 64.24 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.804 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 62.22 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.571 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.34 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 61.21 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.451 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.33 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.22 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.594 ' OG ' HD11 ' A' ' 96' ' ' LEU . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.4 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.826 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 64.32 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.34 109.328 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 31.51 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.02 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.826 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 73.34 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.05 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 53.33 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.35 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.45 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.32 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.691 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.03 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.13 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 110.981 -0.43 . . . . 62.21 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.21 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 44.1 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 64.22 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 71.51 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.4 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 64.32 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.34 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.24 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 71.43 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.2 109.585 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.521 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.1 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.681 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.04 109.241 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 60.22 109.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.44 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.34 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 65.11 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 65.34 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.21 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.33 109.264 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 61.34 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.32 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.528 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.05 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.43 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 60.54 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.13 109.353 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.33 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.21 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.32 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 63.04 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.11 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.609 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.35 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 74.42 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.521 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.45 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 60.31 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 61.23 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 54.03 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.14 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 65.21 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 70' ' ' VAL . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 43.01 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 62.15 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.823 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 71.21 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 72.14 110.387 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.34 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.44 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 61.51 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 53.22 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.45 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.32 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.55 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.611 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 70.13 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.42 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 64.44 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.4 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.886 HD11 HG11 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.33 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.673 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 62.32 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CE1' HD13 ' A' ' 27' ' ' LEU . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.55 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.555 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 70.22 109.55 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 72.21 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.32 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.886 HG11 HD11 ' A' ' 74' ' ' LEU . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.14 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 70.02 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.874 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.22 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 64.34 109.297 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.792 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 70.11 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.24 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 63.33 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.04 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.848 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 51.01 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.848 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.22 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 31.24 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 53.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.33 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.809 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.41 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.31 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 54.13 109.603 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.747 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.43 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.841 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 72.11 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.1 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.635 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.2 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.45 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.53 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 60.54 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.841 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.2 tp-100 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 50.43 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.628 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.32 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.44 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.55 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 126' ' ' LEU . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.35 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.12 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.809 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.32 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.567 ' O ' HD12 ' A' ' 96' ' ' LEU . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 34.44 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 52.43 109.284 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.15 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.874 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 71.51 111.014 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.3 -0.63 . . . . 60.34 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 70.11 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 70.35 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.45 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 70.23 110.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HG3' HD23 ' A' ' 27' ' ' LEU . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.15 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.03 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 54.33 111.016 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 71.12 110.995 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.21 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.525 ' CZ2' ' HG3' ' A' ' 17' ' ' PRO . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 71.21 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.55 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 45.04 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.41 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.03 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.31 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.33 111.021 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.14 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.14 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 62.32 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.674 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 71.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.41 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 38' ' ' ILE . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.05 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 24.22 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.13 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 32' ' ' VAL . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 70.53 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.34 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 33' ' ' LYS . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.43 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 63.13 109.261 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.54 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.794 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 53.24 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.21 109.235 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 25' ' ' PRO . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 53.45 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.31 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.43 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 73.45 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.13 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 64.44 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD23 HG13 ' A' ' 70' ' ' VAL . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.03 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 71.13 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 61.31 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.691 HH21 HH11 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 72.01 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 65.22 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.15 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.524 ' OD2' HD23 ' A' ' 57' ' ' LEU . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 61.3 109.295 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' PRO . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 71.24 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.13 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.23 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.21 110.408 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 67' ' ' CYS . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.21 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.1 109.618 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.15 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 55.41 109.971 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 62' ' ' ILE . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.23 108.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.05 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.691 HH11 HH21 ' A' ' 53' ' ' ARG . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.13 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG12 HD12 ' A' ' 88' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.22 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.712 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.25 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 65.42 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.35 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.32 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.718 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 72.23 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.687 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.34 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 63.55 109.645 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.13 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.02 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.42 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.03 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.41 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 74' ' ' LEU . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.2 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.23 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.33 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.33 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 70' ' ' VAL . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 73.44 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.31 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.712 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.786 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 55.14 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.4 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 70.33 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 65.52 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 71.22 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.474 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 63.41 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 72.01 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 65.45 109.587 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.14 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 72.22 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 71.22 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 64.3 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 62.04 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.2 m80 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.42 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 62.32 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.11 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.52 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 52.2 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.54 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 70.22 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.43 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 65.32 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.42 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.629 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 71.24 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.42 109.292 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.1 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.629 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 61.32 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.42 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.11 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.54 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.05 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.22 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.11 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.2 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 62.33 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.03 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 70.03 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.2 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.33 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 44.43 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 62.35 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 73.23 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 64.31 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 72.34 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 12.8 p80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.04 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.526 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.622 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.45 109.273 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' HD22 ' A' ' 37' ' ' LEU . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.11 109.328 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 HD22 ' A' ' 37' ' ' LEU . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.44 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.33 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.13 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.31 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.601 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 72.22 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 70.31 109.309 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.67 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.34 110.365 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 41' ' ' LEU . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 70.32 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 62.12 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.13 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 51.11 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.24 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.23 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.51 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 64.44 109.332 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 54.3 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.34 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 58' ' ' CYS . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.52 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.32 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.44 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 73.32 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 71.23 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.14 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.527 ' OD1' HD23 ' A' ' 57' ' ' LEU . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.22 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD23 ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.35 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.708 ' HA ' HD13 ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 72.4 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.14 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.34 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.13 110.369 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.21 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 62.04 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.22 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.42 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 44.32 109.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 72.22 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 55.43 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.32 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG13 HD22 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 70.31 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.43 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 53.34 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.02 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 54.33 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.896 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 64.45 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.708 ' CE1' HD13 ' A' ' 27' ' ' LEU . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.41 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.42 109.652 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.14 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 71.55 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 65.5 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 62.03 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.44 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 74' ' ' LEU . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.14 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.53 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 54.23 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.15 109.29 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.826 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 50.15 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 61.23 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.03 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.23 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.22 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.24 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.33 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 65.21 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.846 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.21 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.54 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 65.44 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.14 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.737 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.24 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 71.44 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.34 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 73.51 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 64.2 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 71.13 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.881 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.7 tp-100 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.2 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.654 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.43 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.02 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.12 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.846 ' OG ' HD11 ' A' ' 96' ' ' LEU . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.21 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 42.41 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.3 109.316 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.51 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.852 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 70.54 111.055 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 74.01 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.522 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 63.44 110.957 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.513 HG22 ' CD ' ' A' ' 127' ' ' ARG . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.13 110.407 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.11 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.513 ' CD ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 65.13 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 63.15 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.21 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.11 111.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.02 -0.415 . . . . 74.23 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.43 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.525 ' CZ2' ' HG3' ' A' ' 17' ' ' PRO . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.44 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.41 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 54.43 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 70.25 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 62.21 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.54 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 63.31 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.24 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.719 HD11 ' HD2' ' A' ' 24' ' ' PRO . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.24 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.24 109.605 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.44 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.674 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.33 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.757 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.42 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 54.4 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.44 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.43 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 65.43 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.646 HD11 ' HG2' ' A' ' 33' ' ' LYS . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 52.54 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 37' ' ' LEU . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.31 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.602 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 60.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.23 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.578 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 50.42 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.33 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 74.2 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.669 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.0 109.342 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.14 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.21 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 64.54 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.03 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 43.21 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 63.4 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.3 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 71.32 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.31 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 70' ' ' VAL . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.44 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.42 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.05 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 71' ' ' HIS . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 72.32 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.23 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 53.21 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 52.34 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.22 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 72.35 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 43.24 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.629 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 55.24 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.792 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.11 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.43 109.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 63.03 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.44 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.727 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 63.3 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.31 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.41 109.593 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.43 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.12 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.23 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.23 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.34 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 74' ' ' LEU . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 63.4 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.21 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.2 109.314 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.53 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.22 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 53.23 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.792 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.15 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.932 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 62.33 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.932 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.13 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 62.21 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 64.51 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 64.24 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.573 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.3 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 55.04 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.12 109.574 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' PHE . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 62.34 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.24 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.32 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.34 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.41 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.4 m80 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.43 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.05 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.45 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.03 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 74.34 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.23 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 128' ' ' GLU . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.21 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 65.24 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 96' ' ' LEU . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.32 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.1 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.41 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.855 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.42 110.968 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.335 -0.617 . . . . 73.02 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 62.35 110.999 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.34 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.23 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.45 110.316 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.41 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.15 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 55.12 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.695 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.038 -0.408 . . . . 74.14 111.038 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.21 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.512 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 64.41 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.42 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.11 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.54 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 74.4 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.644 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 62.44 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.4 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 54.43 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 24' ' ' PRO . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.23 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 61.21 109.591 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.15 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.741 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.704 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.02 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 61.02 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.42 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.01 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.11 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.44 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 64.1 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 63.33 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.52 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.726 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.42 109.247 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 71.25 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.04 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.1 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 64.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.01 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.33 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.35 109.289 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.24 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.24 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HG13 ' A' ' 70' ' ' VAL . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 70.2 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.05 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.22 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.44 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.43 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 62.52 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.1 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.23 109.273 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' PRO . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.51 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.3 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.42 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.41 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 61.55 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.42 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.1 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.12 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 50.43 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.01 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.11 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 88' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 73.4 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 73.42 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.51 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.43 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.22 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 17' ' ' PRO . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.42 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.616 ' CE1' HD13 ' A' ' 27' ' ' LEU . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 50.52 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.32 109.612 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.33 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.21 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.12 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.55 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 74' ' ' LEU . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.1 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 70.2 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.856 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.02 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 54.31 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.15 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.557 HD12 HG12 ' A' ' 70' ' ' VAL . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 54.41 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.15 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 61.11 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.84 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.22 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.84 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.33 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.2 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.44 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 74.42 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.8 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.02 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.41 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.3 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.739 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.42 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 63.21 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.41 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.622 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.53 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 63.15 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 74.41 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.23 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.21 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.673 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.23 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 108' ' ' GLN . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.33 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.11 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 126' ' ' LEU . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.31 109.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.8 ' OG ' HD11 ' A' ' 96' ' ' LEU . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 64.03 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 96' ' ' LEU . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.2 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.13 109.318 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.01 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.856 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.44 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 52.43 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.43 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 52.05 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.21 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 72.32 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.4 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 43.54 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.661 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.037 -0.409 . . . . 73.44 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 70.23 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.599 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 63.24 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.55 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.32 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.24 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 73.13 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.42 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.34 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.12 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.02 109.614 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 63.21 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.869 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.23 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' HD22 ' A' ' 37' ' ' LEU . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 55.4 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 62.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 73.44 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.1 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.12 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.545 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 63.51 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.32 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' CG ' ' A' ' 33' ' ' LYS . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.51 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.713 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.14 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.628 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.2 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.04 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.35 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.45 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.21 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.3 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 61.04 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 63.34 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.24 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 63.12 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 53.35 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.14 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 35.5 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 61' ' ' THR . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.22 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.31 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.21 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' C ' HD23 ' A' ' 57' ' ' LEU . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 63.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.02 109.275 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.471 ' SG ' HG13 ' A' ' 70' ' ' VAL . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 63.13 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.54 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.11 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.42 110.413 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 ' SG ' ' A' ' 67' ' ' CYS . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 74.32 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.23 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.13 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.53 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.34 109.988 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 62' ' ' ILE . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.53 108.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.04 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.539 ' NH1' HH21 ' A' ' 53' ' ' ARG . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.3 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.63 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.44 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.12 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 51.45 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 42.34 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.911 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 53.21 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 17' ' ' PRO . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 71.14 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.13 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.599 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.42 109.554 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.44 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 73.45 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.54 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.12 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 64.24 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.911 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.34 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.511 ' N ' HG12 ' A' ' 83' ' ' VAL . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 72.34 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.86 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.44 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.02 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 64.24 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 63.42 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.35 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 62.22 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 73.45 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.633 ' ND1' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 63.32 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.1 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.411 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 73.21 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 55.01 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.25 109.261 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.13 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.42 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.33 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 71.13 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.24 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.34 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.34 109.611 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.14 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.34 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.847 ' HB3' HD13 ' A' ' 101' ' ' LEU . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.43 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.24 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 108' ' ' GLN . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 53.52 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 51.12 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 72.02 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.13 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.66 ' OG ' HD11 ' A' ' 96' ' ' LEU . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.21 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 62.4 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.688 HG23 ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 70.35 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.688 ' N ' HG23 ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.43 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.86 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 54.45 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.637 . . . . 54.01 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.636 ' HB2' HG22 ' A' ' 115' ' ' VAL . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.22 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 62.03 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 71.22 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.13 110.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 111' ' ' ILE . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 64.21 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.22 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 63.44 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.023 -0.414 . . . . 73.12 111.023 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.23 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.31 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.42 109.246 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.35 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.692 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.23 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 73.22 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.43 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.02 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.52 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.44 109.566 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.13 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.773 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 53.54 109.296 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.737 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 63.45 109.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.3 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HB3' HD11 ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.23 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.32 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.23 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.51 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 61.41 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 55.23 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.52 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 61.34 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.772 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 44.43 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.21 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 73.32 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 73.1 110.26 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.668 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.54 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.783 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.1 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.02 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.668 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.35 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 70' ' ' VAL . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.21 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.53 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.54 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.33 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' THR . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.21 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 72.01 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 65.13 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' C ' HD23 ' A' ' 57' ' ' LEU . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 70.32 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.14 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 72.11 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.869 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.4 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 63.34 110.435 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 62.51 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.34 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.04 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.22 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.548 ' O ' HG21 ' A' ' 91' ' ' THR . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.34 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.54 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 62.14 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.22 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.02 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.4 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 55.43 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 83' ' ' VAL . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.33 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.635 ' N ' HD23 ' A' ' 74' ' ' LEU . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.2 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 64.34 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.563 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.2 109.636 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.32 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 72.3 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 72.53 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.32 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' LEU . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 62.12 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 71.53 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 72.33 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.15 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.43 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.43 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 2.8 m120 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 73.41 109.285 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.573 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.24 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.916 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.12 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 72.14 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.51 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.21 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 65.34 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 114' ' ' THR . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 64.15 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 33.01 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.34 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.32 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.13 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 72.53 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.45 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 62.13 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.54 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.414 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.24 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.54 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' HD22 ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.12 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.629 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.31 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 65.54 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.52 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 53.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.13 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 96' ' ' LEU . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.33 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.837 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.1 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.11 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.13 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.781 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.11 111.053 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.837 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.334 -0.617 . . . . 74.13 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.41 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 65.34 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 70.43 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.41 110.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.43 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.23 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.15 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.018 -0.416 . . . . 62.15 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.35 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.34 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.69 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.22 109.328 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 53.22 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 63.03 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 51.13 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.701 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.12 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 70.4 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.1 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.701 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.45 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.41 109.587 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.03 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.779 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.42 109.266 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.732 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.12 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.53 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.806 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.34 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.13 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.1 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.01 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 70.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.45 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD11 ' A' ' 37' ' ' LEU . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 72.01 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.3 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 55.41 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 29' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.11 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.31 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.44 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 71.11 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.69 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.21 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.11 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.627 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 64.04 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 70' ' ' VAL . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.32 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 71.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 72.51 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.01 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.54 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 71.22 109.285 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' LEU . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 60.22 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.13 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 63.53 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 64.41 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 61.33 109.616 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.12 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.41 110.026 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.32 108.298 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.44 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 70.35 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 50' ' ' LEU . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.02 109.307 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.11 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.32 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.3 109.338 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.892 HD11 HG11 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.12 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' N ' HD23 ' A' ' 74' ' ' LEU . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.14 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' A' ' 27' ' ' LEU . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.01 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.54 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.53 109.609 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 63.03 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.43 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 43.24 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 61.32 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 51.2 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.892 HG11 HD11 ' A' ' 74' ' ' LEU . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.04 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 71.4 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.32 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.13 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.799 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 70.32 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 70' ' ' VAL . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.14 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.4 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 65.2 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.624 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.3 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.624 ' ND1' HG23 ' A' ' 91' ' ' THR . 0.6 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.11 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 51.13 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 55.01 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.54 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.11 109.253 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 51.32 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.1 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.21 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.768 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 53.32 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.927 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 52.25 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.2 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.03 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 55.51 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.2 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.927 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.5 tp-100 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 65.32 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 71.33 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 50.32 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.23 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 63.11 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.53 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.45 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.599 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.41 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.21 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.33 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.877 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.42 111.015 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.289 -0.634 . . . . 65.33 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.15 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.42 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.15 110.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.593 ' HG3' HD23 ' A' ' 27' ' ' LEU . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.45 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 55.13 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 44.3 110.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.535 0.207 . . . . 70.12 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.4 179.4 6.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.02 109.345 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.24 122.28 27.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 65.21 109.283 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.68 43.93 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 74.44 109.262 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 5' ' ' VAL . 33.5 m -66.41 110.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 74.33 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.91 -15.67 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.21 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -59.54 139.44 57.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 62.05 109.972 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.51 -176.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 61.33 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -73.14 -60.02 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.12 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.85 ' C ' HD22 ' A' ' 11' ' ' LEU . 7.8 p -171.42 121.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 61.3 109.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' C ' ' A' ' 10' ' ' SER . 2.3 mm? -126.52 157.77 69.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 71.14 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 54.24 110.997 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.69 -7.71 12.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 53.45 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t80 -175.87 170.49 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.13 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 23.9 t0 -141.14 107.05 5.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 54.02 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 15.4 t -63.11 135.09 96.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 64.54 108.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.97 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 75.03 110.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.13 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.576 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.41 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.13 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 70.41 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 73.23 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.614 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.1 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.31 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 65.13 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.52 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 71.32 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.03 109.627 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 63.41 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.735 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.01 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.67 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.54 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 61.32 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.3 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.21 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 61.44 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 70.51 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.803 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 65.24 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.558 ' O ' HD11 ' A' ' 37' ' ' LEU . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.52 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 70.3 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.821 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.44 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.53 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 53.03 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 63.15 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.21 110.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.2 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.15 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.24 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.03 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD21 HD23 ' A' ' 13' ' ' LEU . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 52.23 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.05 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 52.51 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.41 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.23 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.34 109.345 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.14 109.298 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 50' ' ' LEU . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 63.01 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.44 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.12 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 41.15 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.45 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.12 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.43 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 71.13 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.745 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.55 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.43 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.23 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.44 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 41.5 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.11 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.12 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.885 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.1 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.24 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 1.1 t60 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.14 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.13 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.31 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 62.03 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.32 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.44 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.32 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.41 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.32 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 43.24 109.331 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.03 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.545 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.01 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.33 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.613 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 54.22 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.792 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.13 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.792 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.42 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 31.45 110.971 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 64.41 110.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 71.22 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.51 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.12 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 71.12 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.14 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.1 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.44 109.305 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 71.12 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 52.23 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.3 m80 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.1 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.35 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' HD22 ' A' ' 101' ' ' LEU . 3.6 tp-100 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 62.32 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 65.12 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 62.11 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 61.41 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 54.14 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 60.42 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.04 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.899 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 63.14 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 63.1 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.11 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 -67.6 -173.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.34 110.972 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -51.66 -88.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 34.43 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.745 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -67.96 -69.89 0.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 0.755 . . . . 71.42 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -36.21 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 70.13 110.019 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.4 p -73.24 -1.82 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.33 110.415 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.649 HH12 HG21 ' A' ' 38' ' ' ILE . 15.4 mmt85 -47.45 175.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 72.42 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.899 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.67 61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.14 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 115' ' ' VAL . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.23 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.23 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 63.33 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.41 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.02 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.05 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.04 111.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -72.88 145.82 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 52.14 110.321 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 73.13 110.406 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 72.4 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.27 35.35 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 72.14 109.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.79 161.61 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.1 109.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.07 67.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 24.31 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -74.88 -21.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.21 109.329 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -104.34 55.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.3 109.302 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -136.97 177.92 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 74.35 109.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.88 -173.5 45.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 50.44 110.962 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.5 125.05 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 44.15 110.05 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -175.21 154.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 73.41 110.034 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.2 156.82 9.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.41 109.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 72.52 111.019 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -113.9 -12.15 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 62.14 109.305 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 88' ' ' LEU . 11.9 t80 -170.3 151.68 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.44 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 1.5 p-10 -95.79 115.39 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 70.23 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -87.35 138.15 32.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 60.41 108.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.07 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 65.44 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.597 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.33 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.34 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.33 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.44 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.41 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 73.43 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.23 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.53 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.1 109.587 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.22 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.44 109.352 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.614 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 65.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.04 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.35 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 51.33 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 72.53 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.44 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.44 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.819 HD11 ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.54 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.33 110.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.3 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD13 ' CE2' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 64.34 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.04 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.02 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 70.1 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 61.41 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.54 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.638 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.13 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.31 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.24 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.44 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.12 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 53.25 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.41 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 70.55 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.1 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.24 109.254 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.03 109.316 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' A' ' 70' ' ' VAL . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.14 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 62.32 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.847 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.22 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.12 110.437 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 70.04 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.31 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.0 t60 -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.33 109.598 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 61.42 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.419 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.04 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.515 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 52.53 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.42 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.42 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.58 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.23 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 64.11 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.53 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.11 109.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.829 HD11 HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 55.14 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.716 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.44 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.597 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.53 109.601 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.22 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 62.31 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 72.32 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.42 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.11 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 74' ' ' LEU . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 63.44 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' N ' HG12 ' A' ' 83' ' ' VAL . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.54 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.35 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.54 109.306 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.805 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.52 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 14' ' ' PHE . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.1 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 61.33 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 35.51 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.816 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.12 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.816 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 63.41 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.34 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.14 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.22 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 113' ' ' SER . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.13 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.31 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.52 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.803 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.14 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 52.04 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.3 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.42 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.22 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 63.02 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.04 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.867 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.5 tp-100 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.55 110.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.699 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 65.1 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 70.12 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.2 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.42 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.24 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 96' ' ' LEU . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 53.13 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 74.21 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.11 109.294 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.12 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.7 m-85 -72.84 163.24 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.21 110.993 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -54.87 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 62.51 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -46.08 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 72.54 109.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -63.33 129.28 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.14 109.992 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 122' ' ' ARG . 7.9 p -90.04 13.82 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.05 110.431 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' NH1' ' CB ' ' A' ' 33' ' ' LYS . 17.4 mmt180 -49.47 179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.22 110.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -137.04 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 54.33 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.22 111.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.01 110.421 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 54.12 109.326 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.45 110.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HB2' HD12 ' A' ' 111' ' ' ILE . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.32 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 64.33 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 73.54 111.036 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.29 154.25 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 70.34 110.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 74.15 110.416 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.513 0.197 . . . . 71.24 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.63 101.16 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 63.21 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.57 169.71 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 75.4 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.36 51.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 64.34 109.307 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -123.3 143.98 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.02 109.331 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 10.5 p-10 -59.7 151.01 26.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 73.21 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t -126.24 62.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.34 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.54 146.05 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 60.35 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.64 92.33 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 73.2 110.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -169.85 174.62 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 75.13 109.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.76 157.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 64.03 109.265 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 64.41 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.58 -27.01 9.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.32 109.296 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 4.0 t80 -167.14 157.6 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.51 110.959 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -123.91 115.53 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 65.21 109.296 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -66.39 142.44 97.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 65.11 108.276 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.96 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 74.2 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.41 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.583 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 72.15 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.41 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.12 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 72.22 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.43 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.642 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.21 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 73.21 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.05 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.54 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 7.0 p80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.32 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.41 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.41 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 71.22 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 54.22 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HB3' HD11 ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.45 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.52 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' C ' HG13 ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 72.54 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.54 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.44 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.11 110.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.33 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.3 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.41 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.54 109.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.35 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 65.4 110.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 63.34 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.22 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.34 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 13' ' ' LEU . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 62.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.542 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 71.41 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.24 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.11 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 33.31 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.2 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 55.22 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 73.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 70' ' ' VAL . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.41 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.22 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 53.12 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.4 110.448 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.537 HG22 ' OG ' ' A' ' 120' ' ' SER . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.14 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.52 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.02 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.41 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.549 ' O ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.34 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.23 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 60.31 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.45 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 63.33 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.53 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 61.4 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.1 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.888 HD11 HG11 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 44.13 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 74' ' ' LEU . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.1 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 63.44 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 44.22 109.628 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.51 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.11 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.23 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.32 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.44 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.888 HG11 HD11 ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.11 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 72.14 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.22 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.32 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.41 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 55.52 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 73.44 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.898 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.52 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.898 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.13 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 60.43 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 54.04 110.378 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 52.25 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 113' ' ' SER . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.52 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 51.31 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.42 109.596 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.22 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.12 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 73.42 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.52 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.41 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.14 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 45.45 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.44 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' HG2' HD22 ' A' ' 101' ' ' LEU . 2.9 tp-100 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.12 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.738 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 62.51 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 108' ' ' GLN . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 72.52 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 72.42 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 126' ' ' LEU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.31 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 33.31 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 96' ' ' LEU . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 61.44 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 62.42 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.32 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.711 ' N ' HG23 ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 53.03 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -75.1 -174.24 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.41 111.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 121' ' ' THR . . . -87.06 -48.49 4.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 40.11 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' THR . . . -62.84 -90.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 73.42 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.716 ' C ' HG23 ' A' ' 121' ' ' THR . 16.6 m -61.52 -47.94 83.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 64.12 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.716 HG23 ' C ' ' A' ' 120' ' ' SER . 1.0 OUTLIER 66.85 30.61 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.44 110.397 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 24.1 mmt85 -54.73 -169.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 64.02 110.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -123.77 55.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 50.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.634 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.33 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.406 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 60.44 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.53 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.401 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 72.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.476 ' HB2' HD12 ' A' ' 111' ' ' ILE . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.43 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 64.14 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 61.22 111.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -46.47 144.52 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.44 110.298 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 70.51 110.401 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.545 0.212 . . . . 74.54 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.19 -177.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.102 . . . . 61.55 109.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.86 40.99 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.21 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 44.28 48.57 7.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 71.41 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.9 t -100.24 155.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 61.31 109.277 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -169.19 166.16 10.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 75.31 109.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 p -108.14 8.3 27.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 51.35 109.977 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.02 45.66 19.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.105 . . . . 54.43 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -71.28 -176.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 74.23 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' LEU . 13.5 m -76.77 130.7 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.04 110.026 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.6 OUTLIER 57.13 162.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.13 109.341 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 74.43 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.78 -29.17 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.32 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.767 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.5 t80 -164.45 159.99 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 65.24 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.5 t0 -128.22 113.87 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 71.53 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.2 p -65.95 139.81 96.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 73.45 108.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.614 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.96 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 74.22 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 55.2 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.23 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.44 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.04 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.33 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.14 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 64.33 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.11 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.12 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.05 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 71.53 109.615 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 126' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 61.14 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 72.31 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.4 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CG ' HD11 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 65.5 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.2 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 52.52 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 73.31 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 65.52 109.344 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.687 HG21 ' NH1' ' A' ' 122' ' ' ARG . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.24 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 44.45 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 55.41 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.51 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.04 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 52.34 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 55.21 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.34 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.41 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 53.02 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.23 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.42 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD21 HD23 ' A' ' 13' ' ' LEU . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.24 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 61.12 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.44 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 61' ' ' THR . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 73.31 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 52.24 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.53 ' OD2' HD23 ' A' ' 57' ' ' LEU . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 64.11 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.12 109.278 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PRO . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.44 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.41 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.41 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.12 110.413 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.34 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.45 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.15 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.13 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.726 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.53 109.965 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.51 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 54.33 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.5 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.11 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.14 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 44.13 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 21.01 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 43.44 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 75' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.54 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.825 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 62.14 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.43 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.603 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.44 109.603 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.42 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.45 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.45 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 74.23 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.41 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG11 HD11 ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.02 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.15 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.45 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 50.55 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 42.3 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.31 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.449 ' HG ' ' HE2' ' A' ' 71' ' ' HIS . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.21 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.837 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 71.33 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.837 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.44 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 63.14 111.051 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 74.53 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.32 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.772 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.22 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 54.33 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.21 109.546 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.02 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.769 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.22 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 54.22 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.44 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.12 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.41 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.12 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 35.42 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.962 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.7 tp-100 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 63.11 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.649 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.03 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 65.54 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 51.23 110.991 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 64.13 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.04 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.772 ' OG ' HD11 ' A' ' 96' ' ' LEU . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.12 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.636 HG23 ' HB1' ' A' ' 123' ' ' ALA . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.44 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.21 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 71.22 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.2 m-85 -68.65 170.92 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.2 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -39.92 -80.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 44.3 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.726 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -74.71 -70.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 75.34 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -32.79 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 65.3 110.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' ALA . 18.3 p -72.47 -3.99 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.24 110.378 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.687 ' NH1' HG21 ' A' ' 38' ' ' ILE . 23.8 mmt85 -48.49 177.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 74.32 110.304 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.636 ' HB1' HG23 ' A' ' 114' ' ' THR . . . -135.14 61.95 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 61.33 109.32 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.02 110.993 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.24 110.371 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.43 110.27 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.13 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.24 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.42 111.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.69 129.88 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 64.21 110.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 60.11 110.361 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.465 0.174 . . . . 65.15 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.71 44.1 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 72.22 109.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.45 69.98 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 74.23 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.07 116.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.35 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 5' ' ' VAL . 92.3 t 63.81 42.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.43 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -70.54 99.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 64.43 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -58.96 165.15 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 61.35 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.57 63.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 62.32 111.0 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -143.55 125.73 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 70.05 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -109.92 20.4 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 71.42 110.028 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -169.03 157.73 7.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.42 109.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.742 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.97 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 60.01 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -111.93 -31.48 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 75.55 109.312 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.724 ' H ' HD22 ' A' ' 13' ' ' LEU . 2.4 t80 -161.38 169.35 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 74.32 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.596 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 3.6 t70 -134.94 120.78 19.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 51.44 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.8 p -72.83 139.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 65.44 108.288 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.05 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 72.34 110.998 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.23 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 72.4 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.592 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.34 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 74.53 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.596 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.51 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.808 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 64.34 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.15 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.02 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.808 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.45 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.42 109.602 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.726 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 72.03 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.726 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.41 109.299 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.643 ' O ' HD22 ' A' ' 37' ' ' LEU . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 65.15 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 64.44 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.836 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.24 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.14 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 64.23 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' C ' HG13 ' A' ' 32' ' ' VAL . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.31 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 50.42 109.285 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.836 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.24 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.24 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.21 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.04 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.764 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.45 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.33 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.592 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.51 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.631 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.33 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.23 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.844 HD21 HD23 ' A' ' 13' ' ' LEU . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.03 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.13 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.45 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.55 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 62.23 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 72.43 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' HD23 ' A' ' 57' ' ' LEU . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.43 109.264 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 63.23 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' A' ' 70' ' ' VAL . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.43 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.12 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.784 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.2 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.02 110.426 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.31 109.275 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 62.21 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.6 t60 -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.0 109.555 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 71.33 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.43 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.31 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 64.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.55 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 73.21 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 70.13 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.12 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 53.03 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.883 HD23 ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.32 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.883 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.11 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.34 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.588 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 1.1 t60 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 71.11 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.51 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.427 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.41 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 70.12 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 71.05 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.43 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 74' ' ' LEU . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.11 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.869 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 65.04 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.1 109.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.34 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.32 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 61.44 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.804 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.51 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.804 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 72.3 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.33 110.982 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 71.42 110.36 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 73.53 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.54 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.32 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.14 109.594 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 70.3 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 72.45 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 63.14 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.22 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.3 m80 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.23 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.52 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.31 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.645 ' HG2' HD22 ' A' ' 101' ' ' LEU . 2.9 tp-100 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.33 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.13 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 73.34 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 64.24 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 128' ' ' GLU . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.23 109.253 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 71.45 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 96' ' ' LEU . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 72.4 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' LEU . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.22 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 71.22 109.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.04 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.869 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.5 m-85 -65.66 -177.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.23 111.016 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -76.46 -79.69 0.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 31.52 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.82 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 63.14 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 m -68.84 146.69 52.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.35 110.026 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -103.94 13.36 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.14 110.384 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -51.95 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 73.33 110.28 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -137.82 55.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 74.04 109.294 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 115' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 64.55 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.34 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.53 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.852 ' HB2' HD12 ' A' ' 111' ' ' ILE . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.22 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.04 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 70.23 111.067 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -50.11 152.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 61.45 110.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 74.44 110.387 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.463 0.173 . . . . 73.22 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.4 169.47 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 73.04 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.75 58.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 55.43 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 92.83 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 65.21 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -100.11 -73.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 51.33 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 56.81 48.29 16.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 44.43 109.267 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.7 p -73.65 169.5 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 73.41 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.07 85.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 74.11 110.999 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -148.62 179.25 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 64.25 109.998 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -63.67 122.8 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 60.2 110.019 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 163.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.5 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 64.54 111.028 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.892 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -110.91 -27.79 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 61.14 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 10.3 t80 -162.41 160.15 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.13 111.036 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -125.71 114.71 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.44 109.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.1 t -69.23 136.66 89.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 71.3 108.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.0 -161.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 64.12 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.11 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.605 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.21 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 45.13 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 43.12 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 73.33 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 51.02 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.31 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 61.42 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.51 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 61.25 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.54 109.617 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 62.32 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.742 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.52 109.344 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 62.33 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.3 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.754 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 71.32 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 53.2 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.21 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 73.42 109.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.11 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 45.41 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.32 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.856 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 60.42 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.11 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 45.53 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.43 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.15 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.12 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.33 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.42 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.892 HD21 HD23 ' A' ' 13' ' ' LEU . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 54.45 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.13 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.22 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 73.43 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.32 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' C ' HD23 ' A' ' 57' ' ' LEU . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 72.44 109.319 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 71.21 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 62.31 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.856 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.12 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 72.35 110.407 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 63.22 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.33 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.43 109.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.21 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.23 110.055 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 70.45 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 62.34 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.31 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.51 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.54 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.33 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.864 HD11 HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.35 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.729 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 62.41 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 64.35 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.605 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.44 109.632 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.15 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.32 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 62.23 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 71.44 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 64.25 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 61.53 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 60.03 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.41 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.14 109.266 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.713 ' OD2' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.22 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.605 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 72.1 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 70.31 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.33 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.615 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 51.21 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.615 ' ND1' HG23 ' A' ' 91' ' ' THR . 1.9 m80 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.53 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.22 110.97 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.445 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.31 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 50.03 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 109' ' ' ILE . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.3 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.11 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.14 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.02 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.777 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.51 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.44 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.619 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.53 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.04 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 63.34 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 72.31 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.924 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 tp-100 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 70.22 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.651 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.35 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.01 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.43 110.997 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 126' ' ' LEU . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 62.42 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.3 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.603 ' OG ' HD11 ' A' ' 96' ' ' LEU . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 64.23 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.718 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 63.35 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG21 HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.32 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.14 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.895 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -66.73 172.99 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.11 110.993 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -43.33 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 64.02 111.001 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -72.96 -70.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 72.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -35.99 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 75.41 110.04 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 119' ' ' ALA . 22.0 p -70.45 -5.08 26.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.3 110.389 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.418 ' HB3' HG13 ' A' ' 31' ' ' VAL . 53.2 mmt-85 -44.19 168.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.44 110.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.718 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -129.14 59.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.52 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 54.45 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.22 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 70.44 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 52.11 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.01 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 65.54 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.03 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.3 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.74 145.94 47.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.11 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 73.33 110.404 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 63.44 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.62 169.84 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.24 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.78 160.45 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 64.33 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.45 82.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 71.21 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.63 144.43 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.14 109.32 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -100.79 -66.88 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 75.32 109.27 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -67.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 73.04 109.979 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.41 123.88 4.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 71.41 111.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -106.08 65.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 72.11 110.021 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -165.71 151.63 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.05 109.983 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.046 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.15 156.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 71.23 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.712 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 60.32 111.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -111.7 -16.19 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 74.3 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 9.8 t80 -171.43 158.52 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.43 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 t70 -124.42 110.51 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 54.34 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 11.9 p -66.91 137.03 94.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 52.13 108.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 74.45 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.4 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.24 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 71.45 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 51.02 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 73.42 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 72.22 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.24 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 52.13 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' HZ3' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 62.23 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 54.04 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.34 109.599 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 62.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 72.11 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.661 ' O ' HD22 ' A' ' 37' ' ' LEU . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.1 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG22 HD22 ' A' ' 37' ' ' LEU . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.32 109.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' HD11 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.43 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.51 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 71.25 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.32 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 72.01 109.334 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 37' ' ' LEU . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 72.2 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.35 110.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.641 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 61.04 109.237 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 63.24 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 55.42 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 64.43 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.03 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.14 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.845 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.41 109.308 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 71.44 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 73.35 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 13' ' ' LEU . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.33 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.51 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 64.15 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.42 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.12 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.24 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.42 109.323 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.21 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.841 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.54 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.34 110.409 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.55 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 54.15 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.3 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 60.24 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 63.32 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 53.1 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 74.45 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.31 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.657 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 64.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.31 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.43 109.318 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.831 HD11 HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 71.42 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.802 ' N ' HD23 ' A' ' 74' ' ' LEU . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.22 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 27' ' ' LEU . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 72.04 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.03 109.631 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 61.34 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.11 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 52.23 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.11 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG11 HD11 ' A' ' 74' ' ' LEU . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.4 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.51 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.902 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.34 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.34 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.734 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.21 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 70' ' ' VAL . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.33 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 43.35 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.41 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.856 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 61.21 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.856 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.23 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 52.12 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.35 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.5 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.33 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.44 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.42 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 72.11 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.758 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.33 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.3 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.12 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.614 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 63.32 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.53 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 60.24 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 65.43 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.78 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 tp-100 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.22 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.676 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.21 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 54.34 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.34 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 128' ' ' GLU . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 64.13 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.12 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.632 ' OG ' HD11 ' A' ' 96' ' ' LEU . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.13 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 73.1 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.31 109.29 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.13 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.902 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -71.33 170.48 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.24 110.966 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.99 -77.48 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 34.34 110.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.487 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -44.72 -84.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 61.11 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -59.88 142.99 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 73.45 110.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.0 p -102.43 11.13 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 73.12 110.413 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 42.2 mmt-85 -49.52 179.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.5 110.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.514 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -136.53 59.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 73.31 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.543 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 74.33 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.21 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 72.03 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 71.2 110.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.744 ' HG3' HD23 ' A' ' 27' ' ' LEU . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.42 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.611 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 70.24 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.04 136.02 52.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.14 110.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 71.11 110.34 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.466 0.175 . . . . 73.1 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.67 134.32 34.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 52.13 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.27 88.66 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.21 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.69 79.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.02 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -128.84 152.53 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 72.52 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -139.46 132.06 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.12 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.8 t -62.32 -74.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 71.11 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -120.06 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 71.43 111.001 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -66.83 -175.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 63.51 110.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -111.89 19.37 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 51.33 109.968 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.9 mm? -96.25 158.39 34.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 70.01 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 74.23 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.7 -32.24 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.35 109.329 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.731 ' H ' HD22 ' A' ' 13' ' ' LEU . 2.5 t80 -166.5 161.58 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 71.32 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.6 t70 -130.08 117.99 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.4 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -67.55 141.94 95.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.43 108.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.624 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.95 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 71.2 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 63.12 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.564 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.2 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.52 109.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 63.24 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 71.44 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 55.21 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 72.42 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 55.44 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.1 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 128' ' ' GLU . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.04 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 60.54 109.583 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.642 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 64.41 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.623 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 72.15 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.22 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.781 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.33 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.04 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.23 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.11 109.264 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.12 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.587 ' OE2' HD21 ' A' ' 41' ' ' LEU . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 64.15 110.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.893 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 52.21 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.32 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.772 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.33 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.51 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 54.43 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.63 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 72.44 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.15 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 63.41 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.22 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 55.14 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.54 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 61.52 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 61' ' ' THR . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.22 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.3 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.43 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.11 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.15 109.32 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.13 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.05 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.893 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.11 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 63.02 110.383 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 67' ' ' CYS . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.12 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.42 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.806 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.05 109.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.837 ' SG ' ' HB3' ' A' ' 119' ' ' ALA . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.33 108.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.41 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 71.44 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.34 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.03 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 71.42 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.916 HD11 HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.4 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.624 HG11 ' CG ' ' A' ' 17' ' ' PRO . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 63.52 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 73.01 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.564 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.2 109.609 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.4 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.43 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.31 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.11 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.916 HG11 HD11 ' A' ' 74' ' ' LEU . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 61.13 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.14 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 71.35 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.11 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.21 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 70' ' ' VAL . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.04 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m120 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 61.21 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.44 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.922 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.13 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.922 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.23 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.12 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 63.22 110.419 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.14 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD11 ' OG ' ' A' ' 113' ' ' SER . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 42.35 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.13 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.2 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.42 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.749 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 73.51 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.865 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.01 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.14 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 52.12 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.12 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 71.52 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.42 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.865 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.41 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.23 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.41 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 71.14 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 126' ' ' LEU . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 72.51 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 72.35 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.814 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.14 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.14 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 61.21 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.51 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.786 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -70.92 156.89 39.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.31 110.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -59.27 -69.28 1.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 71.45 111.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.837 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . . . -45.13 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 65.45 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 p -58.41 179.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 73.43 110.017 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -137.45 29.16 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 70.12 110.377 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -75.31 -179.83 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.13 110.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.73 61.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.02 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 65.42 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.02 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.43 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.24 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 27' ' ' LEU . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 52.21 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.628 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 63.34 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 64.41 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -59.08 153.41 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 55.21 110.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.1 110.406 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.568 0.223 . . . . 74.34 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.54 102.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 71.3 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 127.67 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 71.1 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.92 41.65 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.3 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -129.17 -67.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 72.31 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -141.01 121.89 14.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 73.43 109.301 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.4 p -53.91 116.74 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 72.4 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.27 118.47 1.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 63.22 110.999 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 p -113.87 50.71 0.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 55.34 109.995 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -147.62 -175.19 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.53 109.966 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.68 156.79 0.49 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 74.21 109.321 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.72 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.94 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 52.42 111.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.834 ' O ' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.8 -26.42 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.42 109.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 11.5 t80 -164.14 167.57 20.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 72.31 111.006 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.3 t0 -133.5 115.87 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.02 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.8 t -71.01 136.39 84.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 62.12 108.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.71 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.93 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 73.33 111.018 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.603 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 65.43 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.54 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.24 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 63.23 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.35 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.23 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 34.4 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.2 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.02 109.614 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.14 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.695 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 71.53 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.42 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.539 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 42.31 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.11 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.41 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.12 109.323 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 64.03 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.44 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.742 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 71.25 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.3 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.833 HD13 ' CE2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.2 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.24 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 53.15 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.43 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 43.32 110.341 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.41 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 62.11 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.35 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.706 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 13' ' ' LEU . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.31 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.54 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 53.4 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.726 HH21 HH11 ' A' ' 69' ' ' ARG . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 71.32 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 64.24 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 44.14 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.43 109.302 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 70.54 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.52 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 72.02 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.833 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.45 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 70.14 110.37 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 71' ' ' HIS . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.4 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.44 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 71.52 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.31 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.548 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.13 109.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.52 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 45.14 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 60.51 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.726 HH11 HH21 ' A' ' 53' ' ' ARG . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 71.53 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.834 HG11 ' O ' ' A' ' 13' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.44 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 71.14 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.45 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.22 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.85 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.14 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.831 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.42 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.52 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.603 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.34 109.567 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.45 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.21 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.35 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.44 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.85 HG11 HD11 ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.32 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.04 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.33 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.14 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.23 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 70' ' ' VAL . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 72.03 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 45.14 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 52.25 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.663 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.33 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.663 ' ND1' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.35 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 62.11 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 63.22 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 52.14 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 52.5 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.22 109.59 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 61.04 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 71.44 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.96 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.13 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 52.33 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 62.52 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.2 m80 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.21 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 62.21 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 73.53 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.96 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.23 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.742 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 61.54 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 108' ' ' GLN . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 34.4 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 51.32 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.497 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 73.1 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.13 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 71.2 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.51 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 53.42 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.12 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.889 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -74.81 155.37 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 61.43 111.01 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -53.74 -76.79 0.17 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 65.23 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 66' ' ' SER . . . -38.54 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 73.14 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 117' ' ' PHE . 2.0 m -60.92 176.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 72.53 109.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.6 p -134.72 8.37 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.23 110.391 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.16 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 70.15 110.301 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.26 63.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 44.04 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 70.45 110.98 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.51 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.34 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.55 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.4 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.43 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.31 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.93 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.4 111.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -48.58 144.14 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 64.01 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 61.52 110.432 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.54 0.209 . . . . 41.41 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.11 133.21 3.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 54.23 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.51 6.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 72.5 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.42 94.15 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 64.52 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -128.56 140.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 40.44 109.281 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -130.84 101.93 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 70.05 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -143.09 131.69 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 54.4 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.1 -84.61 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 70.43 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.33 9.44 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 72.21 109.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -102.11 119.6 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 73.33 110.015 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 56.9 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 74.13 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 63.23 111.048 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.14 -29.09 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 44.21 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.52 155.62 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.04 111.06 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.03 113.9 19.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 24.12 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.1 p -64.64 142.42 98.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.23 108.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.676 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.01 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 74.03 111.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.24 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.2 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 40.44 109.278 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 74.22 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.53 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.1 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.743 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 62.55 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.21 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 45.41 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 71.52 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.23 109.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.42 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.816 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.53 109.304 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.756 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.15 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.02 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HB3' HD11 ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.3 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.13 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.11 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' HG13 ' A' ' 32' ' ' VAL . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.41 109.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.41 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 64.22 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 70.54 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 71.24 109.33 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.877 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.23 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 51.03 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.32 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.51 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.12 110.281 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.32 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.735 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.21 109.308 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.55 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 63.44 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 13' ' ' LEU . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.43 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.22 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 43.45 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.888 HH21 HH11 ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 62.01 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.4 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.22 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.2 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 71.05 109.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.02 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 63.41 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.877 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.33 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 62.34 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 63.22 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 61.33 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' CE1' ' HB1' ' A' ' 119' ' ' ALA . 7.9 t-160 -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.2 109.608 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 54.03 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 44.12 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 64.54 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.888 HH11 HH21 ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 74.21 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 44.13 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 65.33 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.52 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.13 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.745 ' N ' HD23 ' A' ' 74' ' ' LEU . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 65.32 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.678 ' CE1' HD13 ' A' ' 27' ' ' LEU . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.32 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.51 109.596 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.14 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.459 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.12 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.34 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.22 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.52 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 74' ' ' LEU . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 65.53 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.21 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.805 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.2 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.13 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 64.2 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 71.35 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.21 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.553 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.11 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.908 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.23 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.908 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.31 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 44.41 111.007 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 54.33 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.21 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 41.52 109.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.33 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.4 109.541 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.11 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 71.51 109.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 72.02 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.23 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.12 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 65.11 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.602 ' HG2' HD22 ' A' ' 101' ' ' LEU . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.4 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.586 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 63.11 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.13 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.14 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.35 109.272 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.02 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.3 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.663 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.33 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.32 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.2 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.805 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -66.69 -171.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.21 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -61.61 -74.24 0.41 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 54.41 111.008 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' A' ' 66' ' ' SER . . . -76.4 -74.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 60.43 109.296 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -33.28 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 40.53 110.039 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 10.6 p -68.88 -7.66 36.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.13 110.412 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' HB3' HG13 ' A' ' 31' ' ' VAL . 15.0 mmt180 -45.79 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 71.32 110.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.663 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -133.68 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 34.42 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 64.24 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.14 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.15 109.292 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.11 110.248 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.575 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 52.1 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.25 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.2 111.053 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -54.57 151.66 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 70.45 110.28 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 60.23 110.381 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 74.11 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.46 161.94 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 75.21 109.306 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.41 -177.36 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 51.42 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.34 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.31 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.82 -177.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.11 109.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.62 157.08 47.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 70.41 109.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -112.08 173.83 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 72.15 110.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.02 150.16 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 64.01 110.975 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -91.9 102.77 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 75.21 109.945 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LEU . 3.8 t -165.06 -179.99 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 42.52 110.001 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.0 mm? -40.73 155.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 75.25 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.774 . . . . 63.24 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.813 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.62 -28.43 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 61.53 109.286 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.693 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.88 156.75 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 63.51 111.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -126.09 115.8 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -62.0 143.22 94.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 32.32 108.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -75.01 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 74.34 111.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.14 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.572 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.31 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 65.33 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.34 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.04 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.44 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.51 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 70.41 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 55.24 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 51.41 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.1 109.601 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.45 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.678 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.4 109.356 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 31.31 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.54 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 44.14 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.42 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 74.53 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 73.13 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.825 HG21 HH12 ' A' ' 122' ' ' ARG . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.24 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HD21 ' A' ' 41' ' ' LEU . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.42 110.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.32 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.31 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.03 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 54.22 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.51 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.43 110.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.602 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 51.23 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 72.21 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.693 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 64.31 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.602 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.41 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 70' ' ' VAL . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 63.22 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.6 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 73.41 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 72.33 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.604 ' O ' HG22 ' A' ' 61' ' ' THR . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.44 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.4 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.15 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' C ' HD23 ' A' ' 57' ' ' LEU . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.05 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.21 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.21 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.13 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 61.3 110.413 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.22 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 70.3 109.56 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.32 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.44 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.43 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.05 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.41 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 30.54 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 65.5 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.12 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 72.24 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG11 ' CG ' ' A' ' 17' ' ' PRO . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.24 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 60.43 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.572 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 70.41 109.574 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.35 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 55.52 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.35 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.33 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.24 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 55.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 64.45 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.35 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.52 109.299 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.813 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.55 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 70' ' ' VAL . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.33 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.32 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 44.23 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.34 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.42 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.51 111.011 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.419 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.23 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.01 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.754 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.03 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 71.23 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.21 109.59 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.45 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.787 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 62.24 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.14 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.42 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.13 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.44 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.21 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 54.32 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.909 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.0 tp-100 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 51.32 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.603 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.13 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.41 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 60.43 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 126' ' ' LEU . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 72.25 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.01 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.754 ' OG ' HD11 ' A' ' 96' ' ' LEU . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.22 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.827 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.41 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 25.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.2 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.787 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -67.57 -179.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 71.23 111.001 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -53.68 -72.49 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 62.04 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.723 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -77.69 -75.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 63.22 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -35.32 101.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.12 109.982 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' ARG . 16.9 p -72.12 -4.5 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 72.04 110.383 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.825 HH12 HG21 ' A' ' 38' ' ' ILE . 14.2 mmt85 -45.45 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.42 110.346 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.827 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.5 60.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 65.44 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.24 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 51.41 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.24 109.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.407 ' N ' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 70.3 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.51 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.12 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo -75.06 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.9 129.42 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 63.53 110.295 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 43.54 110.386 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.508 0.194 . . . . 72.14 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.01 139.06 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 72.44 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.9 134.53 54.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.15 109.319 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.4 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -88.95 115.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.25 109.331 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -138.79 129.13 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 73.41 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -154.42 163.88 39.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 73.04 110.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.41 153.77 3.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 64.34 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -80.25 -73.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 73.4 110.053 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -170.92 115.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 50.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 10' ' ' SER . 2.5 mm? -126.98 158.21 69.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 70.33 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 74.43 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.97 -34.32 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 53.2 109.264 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.739 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.3 t80 -171.45 157.19 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.12 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -122.01 119.49 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.45 109.273 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.7 p -69.64 142.31 91.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 74.11 108.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.02 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 60.42 111.002 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.43 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.23 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.14 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 64.33 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.42 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 60.14 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.658 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.55 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.13 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.1 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 60.01 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.21 109.566 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.3 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.744 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.44 109.301 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD22 ' A' ' 37' ' ' LEU . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.53 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.811 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.21 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 51.43 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 63.03 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 32' ' ' VAL . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.45 109.281 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.811 HD11 ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 72.24 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' HD11 ' A' ' 37' ' ' LEU . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.43 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.12 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.3 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.23 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.21 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' HG22 ' A' ' 42' ' ' ILE . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.51 110.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.1 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 71.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 73.33 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.583 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.04 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 61.22 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.415 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.4 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.2 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.13 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.03 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.504 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 64.41 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.4 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.21 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.8 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.11 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 61.23 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 71' ' ' HIS . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 53.5 109.355 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.13 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.15 109.6 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.11 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.14 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.13 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 64.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.43 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.574 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.04 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 62' ' ' ILE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 65.05 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 51.22 109.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.4 109.269 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 83' ' ' VAL . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 53.01 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.572 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.53 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.65 ' CE1' HD13 ' A' ' 27' ' ' LEU . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 54.44 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.52 109.569 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 62.41 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 64.5 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 34.44 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 65.43 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 74' ' ' LEU . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.25 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.31 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.15 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.51 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 71.24 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD12 HG12 ' A' ' 70' ' ' VAL . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.13 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.04 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.1 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.15 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.23 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.42 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 63.53 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.13 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.594 HD11 ' OG ' ' A' ' 113' ' ' SER . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 54.31 109.331 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 64.42 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.41 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.12 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.729 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 63.2 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.12 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.12 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 64.13 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.3 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 71.45 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 64.24 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.804 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 62.22 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.571 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.34 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 61.21 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.451 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.33 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.22 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.594 ' OG ' HD11 ' A' ' 96' ' ' LEU . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.4 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.826 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 64.32 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.34 109.328 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 31.51 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.1 m-85 -70.78 166.96 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.02 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -37.42 -80.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 51.13 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -71.48 -75.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 70.13 109.265 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -36.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 63.34 109.987 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' ARG . 81.3 p -76.56 0.91 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 71.51 110.411 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 121' ' ' THR . 42.5 mmt-85 -46.93 174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 72.1 110.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.826 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.18 60.48 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 73.34 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.05 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 53.33 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.35 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.45 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.32 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.691 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.03 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.13 111.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -48.51 147.44 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.01 110.314 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.52 110.419 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.498 0.189 . . . . 71.24 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.33 174.23 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 52.52 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.14 15.42 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 74.21 109.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 43.68 51.2 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 62.32 109.305 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 5' ' ' VAL . 4.1 t -108.18 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 55.12 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -159.39 -174.34 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 71.4 109.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -138.72 172.07 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 72.21 109.997 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.2 164.38 23.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.498 1.124 . . . . 74.34 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -89.62 -72.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 61.4 110.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.462 ' N ' ' OG ' ' A' ' 9' ' ' SER . 90.3 p -155.95 150.24 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 54.43 109.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 56.89 164.4 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 61.2 109.268 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 73.01 111.067 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.814 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.24 -33.64 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 70.45 109.297 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -171.22 151.71 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.24 110.978 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -119.15 116.38 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 75.31 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.3 p -63.83 140.07 97.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 71.05 108.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -161.87 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.761 . . . . 62.21 110.981 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.21 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 44.1 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 64.22 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 71.51 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.4 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 64.32 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.34 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.24 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 71.43 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.2 109.585 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.1 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.681 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.04 109.241 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 60.22 109.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.44 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.34 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 65.11 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 65.34 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.21 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.33 109.264 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 61.34 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.32 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.528 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.05 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.43 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 60.54 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.13 109.353 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.33 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.21 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.32 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 63.04 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.11 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.609 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.35 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD21 HD23 ' A' ' 13' ' ' LEU . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 74.42 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.521 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.45 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 60.31 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 61.23 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 54.03 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.14 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 65.21 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 70' ' ' VAL . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 43.01 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 62.15 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.823 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 71.21 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 72.14 110.387 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.34 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.44 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 61.51 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 53.22 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.529 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.45 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.32 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.55 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.611 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 70.13 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.42 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 64.44 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.4 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.886 HD11 HG11 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.33 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.673 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 62.32 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CE1' HD13 ' A' ' 27' ' ' LEU . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.55 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.555 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 70.22 109.55 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 72.21 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.32 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.886 HG11 HD11 ' A' ' 74' ' ' LEU . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.14 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 70.02 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.22 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 64.34 109.297 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.792 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 70.11 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.24 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 63.33 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.04 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.848 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 51.01 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.848 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.22 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 31.24 111.006 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 53.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.33 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.809 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.41 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.31 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 54.13 109.603 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.747 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.43 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.841 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 72.11 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.1 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.635 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.2 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.45 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.53 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 60.54 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.841 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.2 tp-100 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 50.43 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.628 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.32 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.44 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.55 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 126' ' ' LEU . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.35 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.12 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.809 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.32 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.567 ' O ' HD12 ' A' ' 96' ' ' LEU . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 34.44 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 52.43 109.284 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.15 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.874 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.7 m-85 -74.09 160.05 31.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 71.51 111.014 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.44 -77.75 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 71.5 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.529 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.46 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 65.21 109.281 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 175.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 55.11 110.05 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.7 p -134.77 14.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 52.52 110.402 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -55.76 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 75.3 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.85 62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 60.34 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 70.11 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 70.35 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.45 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 70.23 110.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HG3' HD23 ' A' ' 27' ' ' LEU . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.15 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.03 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 54.33 111.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -91.85 146.98 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 73.22 110.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 70.5 110.383 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.484 0.183 . . . . 74.41 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 164.59 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 54.51 109.27 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.77 154.35 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.23 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.66 108.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 63.42 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -108.7 65.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 71.23 109.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -133.75 116.83 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.32 109.29 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.8 p -107.08 134.02 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 72.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.86 135.95 8.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 74.22 111.016 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -58.12 133.66 55.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 64.34 109.987 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -120.13 178.86 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.04 109.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.8 mm? -74.83 155.74 86.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 70.31 109.247 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 71.02 110.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.82 -23.67 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.41 109.335 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 6.6 t80 -173.18 166.12 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 73.03 111.012 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.1 t70 -135.8 115.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -65.29 141.03 98.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.25 108.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.04 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 71.12 110.995 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.21 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.525 ' CZ2' ' HG3' ' A' ' 17' ' ' PRO . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 71.21 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.55 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 45.04 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.41 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.03 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.31 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.33 111.021 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.14 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.14 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 62.32 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.674 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 71.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.41 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 38' ' ' ILE . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.05 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 24.22 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.13 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 32' ' ' VAL . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 70.53 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.34 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 33' ' ' LYS . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.43 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 63.13 109.261 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.54 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.794 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 53.24 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.21 109.235 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 25' ' ' PRO . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 53.45 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.31 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.43 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 73.45 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.13 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 64.44 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.722 HD21 HD23 ' A' ' 13' ' ' LEU . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.03 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 71.13 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 61.31 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.691 HH21 HH11 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 72.01 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 65.22 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.15 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.524 ' OD2' HD23 ' A' ' 57' ' ' LEU . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 61.3 109.295 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' PRO . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 71.24 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.13 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.23 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.21 110.408 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.21 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.1 109.618 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.15 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.726 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 55.41 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 62' ' ' ILE . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.23 108.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.05 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.691 HH11 HH21 ' A' ' 53' ' ' ARG . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.13 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG12 HD12 ' A' ' 88' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.22 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.712 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.25 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 65.42 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.35 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.32 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.718 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 72.23 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.687 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.34 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 63.55 109.645 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.13 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.02 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.42 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.03 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.41 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 74' ' ' LEU . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.2 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.23 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.33 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.33 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 70' ' ' VAL . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 73.44 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.31 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.712 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.786 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 55.14 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.4 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 70.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 65.52 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 71.22 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.474 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 63.41 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 72.01 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 65.45 109.587 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.14 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 72.22 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 71.22 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 64.3 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 62.04 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.2 m80 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.42 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 62.32 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.11 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.52 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 52.2 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.54 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 70.22 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.43 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 65.32 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.42 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.629 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 71.24 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.42 109.292 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.1 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -66.27 -174.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -56.53 -80.01 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 71.51 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.726 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -73.98 -69.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 65.43 109.334 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 1.2 t -35.47 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 65.45 109.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.3 t -68.23 -7.96 34.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 73.52 110.437 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 121' ' ' THR . 46.1 mmt-85 -45.29 170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 72.04 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.629 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.47 61.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 61.32 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.42 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.11 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.54 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.05 110.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.22 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.11 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.2 111.047 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -47.64 127.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 62.03 110.285 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 75.24 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.518 0.199 . . . . 74.34 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.66 32.24 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 52.15 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.13 49.41 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 65.12 109.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.78 89.44 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 44.4 109.296 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.0 p -124.65 88.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.11 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 0.4 OUTLIER -134.68 85.54 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 71.23 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 t -115.15 43.07 2.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 71.11 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.49 -168.82 22.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 61.13 110.995 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.68 109.78 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 61.34 110.028 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -174.53 -178.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 70.31 109.956 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.48 157.68 0.3 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 43.41 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 74.3 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.12 -32.31 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 73.13 109.335 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.721 ' H ' HD22 ' A' ' 13' ' ' LEU . 10.4 t80 -153.83 164.35 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.24 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 57.6 t0 -137.11 114.6 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 73.13 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.8 p -62.93 139.38 97.4 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 73.22 108.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 62.33 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.03 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 70.03 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.2 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.33 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 44.43 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 62.35 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 73.23 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 64.31 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 72.34 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 12.8 p80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.04 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.622 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.45 109.273 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' HD22 ' A' ' 37' ' ' LEU . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.11 109.328 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 HD22 ' A' ' 37' ' ' LEU . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.44 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.33 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.13 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.31 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.601 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 72.22 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 70.31 109.309 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.67 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.34 110.365 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 41' ' ' LEU . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 70.32 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 62.12 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.13 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 51.11 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.24 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.23 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.51 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 64.44 109.332 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 54.3 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.34 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 58' ' ' CYS . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.52 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.32 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.44 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 73.32 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 71.23 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.14 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.527 ' OD1' HD23 ' A' ' 57' ' ' LEU . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.22 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD23 ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.35 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.708 ' HA ' HD13 ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 72.4 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.14 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.34 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.13 110.369 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.21 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 62.04 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.22 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.42 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.552 ' OG ' ' HB1' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 44.32 109.976 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.54 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 72.22 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 55.43 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.32 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG13 HD22 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 70.31 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.43 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 53.34 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.02 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 54.33 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.896 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 64.45 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.708 ' CE1' HD13 ' A' ' 27' ' ' LEU . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.41 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.42 109.652 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.14 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 71.55 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 65.5 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 62.03 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.44 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 74' ' ' LEU . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.14 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.53 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 54.23 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.15 109.29 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.826 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 50.15 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 61.23 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.03 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.23 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.22 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.24 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.33 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 65.21 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.846 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.21 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.54 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 65.44 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.14 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.737 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.24 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 71.44 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.34 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 73.51 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 64.2 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 71.13 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.881 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.7 tp-100 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.2 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.654 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.43 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.02 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.12 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.846 ' OG ' HD11 ' A' ' 96' ' ' LEU . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.21 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 42.41 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.3 109.316 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.51 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.852 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -75.26 156.66 35.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 70.54 111.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.68 -76.11 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 74.41 111.041 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB1' ' OG ' ' A' ' 66' ' ' SER . . . -38.73 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 53.14 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -61.76 176.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 72.51 110.041 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -137.07 30.99 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.34 110.397 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 38.0 mmt-85 -72.94 -174.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 72.53 110.259 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.38 58.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 74.01 109.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.522 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 63.44 110.957 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.513 HG22 ' CD ' ' A' ' 127' ' ' ARG . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.13 110.407 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.11 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.513 ' CD ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 65.13 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 63.15 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.21 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.0 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.11 111.009 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -72.45 149.61 44.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 72.11 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.51 110.44 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.528 0.204 . . . . 73.21 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 150.02 26.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.32 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 84.34 6.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 72.2 109.255 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.35 108.04 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.22 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' OD1' ' A' ' 6' ' ' ASN . 12.9 t -84.23 -55.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 73.55 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.514 ' OD1' HG12 ' A' ' 5' ' ' VAL . 6.1 m120 -144.95 131.59 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 73.12 109.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -78.5 -72.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 55.22 110.033 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.99 43.0 8.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 64.32 110.961 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 p -129.24 97.98 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 65.31 109.995 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -174.51 169.51 3.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.54 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.18 159.2 59.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 109.29 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 74.43 110.969 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.44 -31.78 6.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 74.31 109.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.709 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -172.26 153.11 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.1 111.024 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.42 116.65 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.34 109.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.6 p -66.21 143.34 98.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 64.21 108.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.778 . . . . 74.23 111.02 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.43 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.525 ' CZ2' ' HG3' ' A' ' 17' ' ' PRO . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.44 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.41 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 54.43 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 70.25 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 62.21 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.54 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 63.31 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.24 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.719 HD11 ' HD2' ' A' ' 24' ' ' PRO . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.24 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.24 109.605 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.44 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.674 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.33 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.757 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.42 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 54.4 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.44 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.43 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 65.43 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.646 HD11 ' HG2' ' A' ' 33' ' ' LYS . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 52.54 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 37' ' ' LEU . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.31 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.602 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 60.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.23 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.578 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 50.42 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.33 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 74.2 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.669 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.0 109.342 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.14 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.21 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.736 HD21 HD23 ' A' ' 13' ' ' LEU . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 64.54 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.03 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 43.21 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 63.4 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.3 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 71.32 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.31 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 70' ' ' VAL . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.44 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.42 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.05 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 71' ' ' HIS . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 72.32 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.23 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 53.21 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.496 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 52.34 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.22 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 72.35 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 43.24 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.629 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 55.24 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.792 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.11 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.43 109.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 63.03 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.44 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.727 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 63.3 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.31 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.41 109.593 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.43 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.12 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.23 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.23 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.34 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 74' ' ' LEU . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 63.4 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.21 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.2 109.314 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.53 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.22 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 53.23 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.792 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.15 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.932 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 62.33 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.932 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.13 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 62.21 111.0 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 64.51 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 64.24 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.573 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.3 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 55.04 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.12 109.574 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' PHE . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 62.34 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.24 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.32 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.34 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.41 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 1.4 m80 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.43 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.05 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.45 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.03 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 74.34 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.23 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 128' ' ' GLU . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.21 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 65.24 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 96' ' ' LEU . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.32 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.1 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.41 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.855 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -65.92 175.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.42 110.968 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -50.14 -78.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 33.04 111.004 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 66' ' ' SER . . . -73.9 -69.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 60.54 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -35.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 70.02 109.985 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.1 t -67.21 -8.97 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.22 110.392 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.4 mmt-85 -44.81 169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 60.24 110.285 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -131.38 60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 73.02 109.335 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 62.35 110.999 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.34 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.23 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.45 110.316 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.41 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.15 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 55.12 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -71.0 128.32 35.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 70.34 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 74.43 110.433 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.534 0.207 . . . . 74.34 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.3 168.96 8.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 75.42 109.338 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.84 109.86 13.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 69.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 75.22 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.98 151.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 75.14 109.285 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.58 79.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 42.2 109.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -67.16 -58.35 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 63.11 110.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.68 -176.37 16.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 41.2 111.059 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -51.77 -68.44 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 73.23 109.943 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.605 ' C ' HD22 ' A' ' 11' ' ' LEU . 21.3 m -171.3 118.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 75.45 110.022 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 10' ' ' SER . 2.8 mm? -118.02 155.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 72.45 109.278 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 65.13 110.979 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -110.32 -23.59 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 52.05 109.288 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 12.6 t80 -164.68 165.74 20.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 63.42 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 6.2 t70 -134.55 111.26 9.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 53.34 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.2 p -66.61 136.51 94.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 42.32 108.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.695 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 74.14 111.038 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.21 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.512 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 64.41 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.42 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.11 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.54 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 74.4 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.644 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 62.44 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.4 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 54.43 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 24' ' ' PRO . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.23 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 61.21 109.591 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.15 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.741 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.704 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.02 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 61.02 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.42 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.01 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.11 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.44 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 64.1 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 63.33 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.52 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.726 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.42 109.247 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 71.25 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.04 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.1 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 64.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.01 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.33 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.35 109.289 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.24 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.24 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 13' ' ' LEU . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 70.2 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.05 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.22 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.44 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.43 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 62.52 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.1 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.23 109.273 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' PRO . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.51 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.3 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.42 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.41 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 61.55 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.42 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.1 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.12 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 50.43 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.01 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.11 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 73.4 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 73.42 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.51 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.43 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.22 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 17' ' ' PRO . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.42 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.616 ' CE1' HD13 ' A' ' 27' ' ' LEU . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 50.52 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.32 109.612 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.33 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.21 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.12 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.55 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 74' ' ' LEU . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.1 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 70.2 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.856 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.02 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 54.31 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.15 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.557 HD12 HG12 ' A' ' 70' ' ' VAL . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 54.41 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.15 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 61.11 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.84 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.22 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.84 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.33 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.2 111.02 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.44 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 74.42 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.8 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.02 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.41 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.3 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.739 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.42 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 63.21 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.41 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.622 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.53 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 63.15 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 74.41 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.23 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.21 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.673 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.23 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 108' ' ' GLN . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.33 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.11 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 126' ' ' LEU . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.31 109.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.8 ' OG ' HD11 ' A' ' 96' ' ' LEU . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 64.03 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 96' ' ' LEU . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.2 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.13 109.318 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.01 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.856 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 -72.84 157.03 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -52.95 -77.24 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 63.43 110.972 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.69 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 60.02 109.318 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PHE . 1.5 p -58.04 174.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 64.22 110.045 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.0 p -133.92 12.37 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 72.12 110.41 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -56.91 -172.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 61.52 110.283 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -140.65 62.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 52.43 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.43 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 52.05 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.21 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 72.32 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.4 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.01 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 43.54 111.027 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -85.35 145.63 27.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 71.33 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.5 110.452 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.49 0.186 . . . . 73.43 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.61 166.34 24.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 61.32 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.57 168.81 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.3 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.8 110.93 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 61.54 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.0 32.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.44 109.261 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 48.03 44.52 18.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 72.54 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -102.87 107.38 18.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 64.52 110.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.76 -145.63 8.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.497 1.123 . . . . 75.02 111.0 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -155.29 -179.88 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 74.14 110.047 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -61.74 144.43 54.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 75.35 109.974 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.8 164.31 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 72.34 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 72.31 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.9 -28.15 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 74.55 109.283 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 15.4 t80 -158.62 166.35 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.23 111.014 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 12.9 t0 -136.36 112.83 9.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 74.04 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 5.4 t -65.0 137.22 97.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 71.15 108.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.661 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.6 Cg_endo -74.9 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 73.44 111.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 70.23 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.599 ' CE3' ' ND1' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 63.24 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.55 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.32 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.24 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 73.13 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.42 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.34 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.12 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.02 109.614 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 63.21 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.869 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.23 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' HD22 ' A' ' 37' ' ' LEU . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 55.4 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 62.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 73.44 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.1 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.12 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.545 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 63.51 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.32 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.774 HG21 ' NH2' ' A' ' 122' ' ' ARG . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.51 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.713 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.14 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.628 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.2 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.04 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.35 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.45 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.21 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.3 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 61.04 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 63.34 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.24 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 63.12 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 13' ' ' LEU . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 53.35 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.14 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 35.5 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 61' ' ' THR . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.22 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.31 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.21 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' C ' HD23 ' A' ' 57' ' ' LEU . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 63.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.02 109.275 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.471 ' SG ' HG13 ' A' ' 70' ' ' VAL . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 63.13 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.54 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.11 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.42 110.413 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 ' SG ' ' A' ' 67' ' ' CYS . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 74.32 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.23 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.13 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.53 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.778 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.34 109.988 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.801 ' SG ' ' HB3' ' A' ' 119' ' ' ALA . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.53 108.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.04 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.539 ' NH1' HH21 ' A' ' 53' ' ' ARG . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.3 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.63 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.44 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.12 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 51.45 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 42.34 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.911 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 53.21 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 17' ' ' PRO . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 71.14 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.13 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.599 ' ND1' ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.42 109.554 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.44 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 73.45 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.54 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.12 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 64.24 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.911 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.34 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.511 ' N ' HG12 ' A' ' 83' ' ' VAL . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 72.34 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.86 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.44 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.02 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 64.24 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 63.42 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.35 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 62.22 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.633 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 73.45 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.633 ' ND1' HG23 ' A' ' 91' ' ' THR . 0.1 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 63.32 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.1 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.411 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 73.21 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 55.01 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.25 109.261 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.13 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.42 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.33 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 71.13 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.24 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.34 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.34 109.611 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.14 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.34 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.847 ' HB3' HD13 ' A' ' 101' ' ' LEU . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.43 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.24 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 108' ' ' GLN . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 53.52 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 51.12 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 72.02 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.13 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.66 ' OG ' HD11 ' A' ' 96' ' ' LEU . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.21 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 62.4 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.688 HG23 ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 70.35 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.688 ' N ' HG23 ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.43 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.86 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -77.58 153.45 33.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 54.45 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.18 -70.26 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.135 . . . . 64.15 111.042 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.801 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . . . -45.13 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 72.34 109.324 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 121' ' ' THR . 1.5 t -60.69 172.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.41 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.403 ' N ' ' OG ' ' A' ' 120' ' ' SER . 18.9 p -127.57 9.98 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 74.45 110.397 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.774 ' NH2' HG21 ' A' ' 38' ' ' ILE . 16.8 mmt180 -56.1 -179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.42 110.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -139.28 64.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.01 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.636 ' HB2' HG22 ' A' ' 115' ' ' VAL . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.22 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 62.03 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 71.22 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.13 110.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 111' ' ' ILE . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 64.21 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.22 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 63.44 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -63.48 136.53 57.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.54 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.14 110.39 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.455 0.169 . . . . 73.42 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.01 -11.11 19.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 72.42 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.65 51.8 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.44 109.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.05 88.94 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 73.33 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.63 -58.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 70.52 109.281 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -75.52 141.41 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 64.03 109.334 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.4 p -128.13 46.99 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 71.1 110.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.86 -179.88 52.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 63.22 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.5 166.75 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 61.21 109.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 p -114.19 159.3 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 72.25 109.994 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.94 164.34 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 65.11 109.317 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 74.45 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.98 -28.66 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 73.4 109.295 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.668 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -171.99 167.88 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.32 111.033 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 8.1 t0 -135.26 124.31 24.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 63.32 109.313 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.9 p -72.08 140.32 82.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.14 108.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.98 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 73.12 111.023 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.23 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.31 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.42 109.246 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.35 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.692 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.23 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 73.22 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.43 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.02 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.52 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.44 109.566 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.13 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.773 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 53.54 109.296 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.737 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 63.45 109.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.3 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HB3' HD11 ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.23 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.32 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.23 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.51 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.838 HG21 HH12 ' A' ' 122' ' ' ARG . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 61.41 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 55.23 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.52 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 61.34 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.772 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 44.43 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.21 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 73.32 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 73.1 110.26 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.668 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.54 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.783 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.1 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.02 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.668 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.35 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 13' ' ' LEU . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.21 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.53 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.54 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.33 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' THR . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.21 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 72.01 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 65.13 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' C ' HD23 ' A' ' 57' ' ' LEU . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 70.32 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.14 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 72.11 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.869 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.4 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 63.34 110.435 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 62.51 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.34 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.04 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.22 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.34 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.54 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 62.14 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.22 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.02 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.4 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 55.43 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 83' ' ' VAL . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.33 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.635 ' N ' HD23 ' A' ' 74' ' ' LEU . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.2 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 64.34 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.563 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.2 109.636 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.32 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 72.3 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 72.53 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.32 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' LEU . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 62.12 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 71.53 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 72.33 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.15 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.43 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.43 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 2.8 m120 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 73.41 109.285 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.573 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.24 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.916 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.12 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 72.14 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.51 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.21 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 65.34 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 114' ' ' THR . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 64.15 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 33.01 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.34 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.32 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.13 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 72.53 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.45 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 62.13 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.54 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.414 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.24 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.54 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' HD22 ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.12 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.629 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.31 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 65.54 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.52 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 53.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.13 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 96' ' ' LEU . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.33 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.837 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.1 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.11 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.13 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.781 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.4 m-85 -67.34 -173.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.11 111.053 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.66 -75.53 0.25 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 54.42 110.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -76.4 -74.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 74.44 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -34.12 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 61.53 110.022 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.3 p -73.33 -3.03 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 75.44 110.391 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.838 HH12 HG21 ' A' ' 38' ' ' ILE . 16.2 mmt85 -47.37 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 53.51 110.316 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.837 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -134.76 62.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.13 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.41 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 65.34 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 70.43 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.41 110.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.43 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.23 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.03 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.15 110.965 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -61.08 137.26 58.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.45 110.273 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.51 110.375 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 70.51 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.97 114.63 9.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.31 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.63 121.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 70.43 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.71 51.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.34 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 m -51.91 122.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 65.42 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -172.48 138.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.42 109.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -170.74 171.83 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 63.05 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 -148.25 4.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 52.34 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -102.2 164.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 61.54 110.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 m -171.93 -177.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 64.42 110.009 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.4 mm? -59.95 160.92 13.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 73.53 109.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 74.33 111.022 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.819 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.85 -29.83 7.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 73.21 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.4 t80 -167.94 154.23 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 54.02 111.015 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.52 113.39 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 41.41 109.311 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -62.65 141.86 96.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 74.2 108.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 62.15 111.018 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.35 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 17' ' ' PRO . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.34 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.69 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.22 109.328 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 53.22 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 63.03 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 51.13 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.701 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.12 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 70.4 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.1 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.701 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.45 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.41 109.587 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.03 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.779 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.42 109.266 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.732 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.12 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.53 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.806 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.34 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.13 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.1 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.01 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 70.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.45 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD11 ' A' ' 37' ' ' LEU . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 72.01 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.3 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 55.41 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 29' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.11 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.31 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.44 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 71.11 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.69 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.21 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.11 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.627 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 64.04 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD23 ' A' ' 13' ' ' LEU . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.32 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 71.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 72.51 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.01 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.54 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 71.22 109.285 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' LEU . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 60.22 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.13 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 63.53 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 64.41 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 61.33 109.616 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.12 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.41 110.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.32 108.298 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.44 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 70.35 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 50' ' ' LEU . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.02 109.307 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.11 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.32 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.3 109.338 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.892 HD11 HG11 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.12 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' N ' HD23 ' A' ' 74' ' ' LEU . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.14 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' A' ' 27' ' ' LEU . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.01 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.54 ' CD2' ' HG ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.53 109.609 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 63.03 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.43 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 43.24 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 61.32 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 51.2 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.892 HG11 HD11 ' A' ' 74' ' ' LEU . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.04 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 71.4 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.32 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.13 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.799 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 70.32 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 70' ' ' VAL . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.14 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.4 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 65.2 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.624 HG23 ' ND1' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.3 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.624 ' ND1' HG23 ' A' ' 91' ' ' THR . 0.6 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.11 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 51.13 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 55.01 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.54 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.11 109.253 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 51.32 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.1 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.21 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.768 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 53.32 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.927 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 52.25 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.2 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.03 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 55.51 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.2 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.927 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.5 tp-100 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 65.32 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 71.33 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 50.32 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.23 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 63.11 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.53 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.45 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.599 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.41 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.21 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.33 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.877 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -69.98 166.09 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.42 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -38.59 -77.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 64.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -75.41 -70.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 63.11 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.451 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -35.89 97.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.52 109.997 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' ALA . 46.2 p -70.0 -5.94 29.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.44 110.457 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 31' ' ' VAL . 17.5 mmt180 -45.34 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 71.45 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -131.02 60.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 65.33 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.15 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.42 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.15 110.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.593 ' HG3' HD23 ' A' ' 27' ' ' LEU . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.45 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 55.13 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 44.3 110.96 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 149.53 24.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 75.14 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.55 110.382 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.424 . . . . 75.03 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.13 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.777 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.41 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.13 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 70.41 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 73.23 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.614 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.1 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.31 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 65.13 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.52 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 71.32 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 36.7 p-80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.03 109.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 63.41 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.735 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.01 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.67 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.54 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 61.32 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.3 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.21 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 61.44 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 70.51 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.803 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 65.24 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.558 ' O ' HD11 ' A' ' 37' ' ' LEU . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.52 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 70.3 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.821 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.44 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.53 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 53.03 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 63.15 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.21 110.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.2 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.15 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.24 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.03 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD23 HG13 ' A' ' 70' ' ' VAL . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 52.23 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.05 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 52.51 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.41 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.23 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.34 109.345 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.14 109.298 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 50' ' ' LEU . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 63.01 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.44 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.12 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 41.15 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.45 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.12 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.43 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 71.13 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.469 ' O ' HG21 ' A' ' 91' ' ' THR . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.55 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.43 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.23 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.44 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG12 HD12 ' A' ' 88' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 41.5 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.11 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.12 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.885 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.1 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.24 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.777 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.14 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.13 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.31 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 62.03 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.32 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.44 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.32 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.41 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.32 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 43.24 109.331 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.03 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.545 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.01 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.33 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.613 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 54.22 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.792 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.13 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.792 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.42 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 31.45 110.971 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 64.41 110.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 71.22 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.51 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.12 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.2 p-80 -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 71.12 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.14 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.1 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.44 109.305 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 71.12 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 52.23 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.1 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.35 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' HD22 ' A' ' 101' ' ' LEU . 27.6 tp60 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 62.32 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 65.12 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 62.11 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 61.41 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 54.14 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 60.42 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.04 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.899 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 63.14 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 63.1 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.11 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.34 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.899 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 71.14 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 115' ' ' VAL . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.23 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.23 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 63.33 110.293 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.41 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.02 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.04 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.665 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.974 -0.433 . . . . 74.41 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 65.44 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.798 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.33 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.34 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.33 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.44 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.41 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 73.43 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.23 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.53 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.2 p-80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.1 109.587 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.22 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.44 109.352 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.614 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 65.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.04 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.35 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 51.33 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 72.53 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.44 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.44 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.819 HD11 ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.54 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.33 110.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.3 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.847 HD13 ' CE2' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 64.34 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.04 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.02 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 70.1 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 61.41 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.54 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.638 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.13 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.31 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.24 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.44 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.12 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 53.25 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.41 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 70.55 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.1 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.24 109.254 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.03 109.316 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' A' ' 70' ' ' VAL . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.14 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 62.32 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.847 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.22 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.12 110.437 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 70.04 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.31 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.33 109.598 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 61.42 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.04 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 52.53 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.42 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.42 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.58 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.23 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 64.11 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.53 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.11 109.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.829 HD11 HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 55.14 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.716 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.44 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.798 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.53 109.601 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.22 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 62.31 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 72.32 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.42 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.11 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 74' ' ' LEU . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 63.44 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' N ' HG12 ' A' ' 83' ' ' VAL . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.54 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.35 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.54 109.306 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.805 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.52 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 70' ' ' VAL . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.1 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 61.33 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 35.51 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.816 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.12 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.816 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 63.41 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.34 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.14 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.22 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 113' ' ' SER . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.13 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.31 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.52 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.803 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.14 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 52.04 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.3 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.42 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.22 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 63.02 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.04 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.867 ' HB3' HD13 ' A' ' 101' ' ' LEU . 29.2 tp60 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.55 110.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.699 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 65.1 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 70.12 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.2 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.42 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.24 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 96' ' ' LEU . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 53.13 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 74.21 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.11 109.294 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.12 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.21 110.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.324 -0.621 . . . . 54.33 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.22 111.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.01 110.421 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 54.12 109.326 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.45 110.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HB2' HD12 ' A' ' 111' ' ' ILE . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.32 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 64.33 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 73.54 111.036 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.03 -0.412 . . . . 74.2 111.03 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.41 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.781 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 72.15 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.41 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.12 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 72.22 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.43 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.642 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.21 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 73.21 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.05 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.54 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 33.4 p-80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.32 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.41 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.41 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 71.22 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 54.22 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HB3' HD11 ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.45 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.52 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' C ' HG13 ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 72.54 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.646 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.54 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.44 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.11 110.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.33 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.3 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.714 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.41 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.54 109.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.35 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 65.4 110.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 63.34 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.22 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.34 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.619 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 62.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.542 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 71.41 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.24 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.11 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 33.31 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.2 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 55.22 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 73.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 70' ' ' VAL . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.41 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.22 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 53.12 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.4 110.448 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.14 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.52 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.02 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.41 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.549 ' O ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.34 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.23 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 60.31 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.45 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 63.33 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.53 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 61.4 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.1 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.888 HD11 HG11 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 44.13 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 74' ' ' LEU . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.1 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 63.44 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.781 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 44.22 109.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.51 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.11 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.23 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.32 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.44 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.888 HG11 HD11 ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.11 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 72.14 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.22 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.32 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.41 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 55.52 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 73.44 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.898 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.52 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.898 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.13 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 60.43 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 54.04 110.378 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 52.25 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 113' ' ' SER . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.52 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 51.31 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.526 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.5 p-80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.42 109.596 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.22 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.12 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 73.42 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.52 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.41 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.14 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 45.45 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.44 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' HG2' HD22 ' A' ' 101' ' ' LEU . 26.1 tp60 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.12 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.738 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 62.51 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 108' ' ' GLN . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 72.52 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 72.42 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 126' ' ' LEU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.31 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 33.31 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 96' ' ' LEU . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 61.44 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 62.42 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.32 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.711 ' N ' HG23 ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 53.03 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.41 111.027 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.634 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.33 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.406 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 60.44 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.53 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 72.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.476 ' HB2' HD12 ' A' ' 111' ' ' ILE . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.43 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 64.14 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 61.22 111.043 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.614 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.01 -0.419 . . . . 74.22 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 55.2 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.799 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.23 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.44 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.04 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.33 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.14 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 64.33 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.11 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.12 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.05 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.1 p-80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 71.53 109.615 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 126' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 61.14 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 72.31 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.4 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CG ' HD11 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 65.5 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.2 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 52.52 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 73.31 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 65.52 109.344 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.499 HD11 ' CG ' ' A' ' 33' ' ' LYS . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.24 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 44.45 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 55.41 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.51 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.04 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 52.34 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 55.21 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.34 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.41 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 53.02 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.23 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.42 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 70' ' ' VAL . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.24 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 61.12 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.44 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 61' ' ' THR . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 73.31 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 52.24 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.53 ' OD2' HD23 ' A' ' 57' ' ' LEU . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 64.11 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.12 109.278 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PRO . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.44 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.41 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.41 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.12 110.413 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.34 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.45 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.15 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.13 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.53 109.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.51 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 54.33 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.5 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.11 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.14 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 44.13 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 21.01 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 43.44 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 75' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.54 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.825 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 62.14 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.43 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.799 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.44 109.603 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.42 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.45 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.45 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 74.23 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.41 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG11 HD11 ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.02 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.15 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.45 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 50.55 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 42.3 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.31 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.449 ' HG ' ' HE2' ' A' ' 71' ' ' HIS . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.21 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.837 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 71.33 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.837 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.44 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 63.14 111.051 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 74.53 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.32 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.772 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.22 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 54.33 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.8 p-80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.21 109.546 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.02 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.769 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.22 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 54.22 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.44 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.12 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.41 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.12 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 35.42 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.962 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.2 tp60 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 63.11 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.649 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.03 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 65.54 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 51.23 110.991 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 64.13 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.04 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.772 ' OG ' HD11 ' A' ' 96' ' ' LEU . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.12 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.636 HG23 ' HB1' ' A' ' 123' ' ' ALA . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.44 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.21 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 71.22 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.2 110.981 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.636 ' HB1' HG23 ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.32 -0.622 . . . . 61.33 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.02 110.993 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.24 110.371 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.43 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.13 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.24 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.42 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 110.998 -0.424 . . . . 72.34 110.998 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.23 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 72.4 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.592 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.34 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 74.53 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.596 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.51 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.808 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 64.34 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.15 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.02 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.808 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.45 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.6 p-80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.42 109.602 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.726 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 72.03 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.726 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.41 109.299 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.643 ' O ' HD22 ' A' ' 37' ' ' LEU . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 65.15 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 64.44 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.836 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.24 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.14 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 64.23 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' C ' HG13 ' A' ' 32' ' ' VAL . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.31 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 50.42 109.285 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.836 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.24 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.24 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.21 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.04 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.764 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.45 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.33 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.592 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.51 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.33 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.23 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.03 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.13 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.45 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.55 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 62.23 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 72.43 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' HD23 ' A' ' 57' ' ' LEU . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.43 109.264 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 63.23 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' A' ' 70' ' ' VAL . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.43 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.12 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.784 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.2 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.02 110.426 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.31 109.275 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 62.21 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.0 109.555 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 71.33 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.43 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.472 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.31 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 64.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.55 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.589 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 73.21 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 70.13 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.12 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 53.03 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.883 HD23 ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.32 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.883 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.11 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.34 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.785 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 71.11 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.51 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.427 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.41 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 70.12 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 71.05 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.43 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 74' ' ' LEU . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.11 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.869 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 65.04 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.1 109.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.34 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.32 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 61.44 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.804 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.51 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.804 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 72.3 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.33 110.982 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 71.42 110.36 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 73.53 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.54 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.32 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.14 109.594 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 70.3 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 72.45 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 63.14 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.22 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.23 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.52 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.31 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.645 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.4 tp60 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.33 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.13 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 73.34 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 64.24 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 128' ' ' GLU . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.23 109.253 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 71.45 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 96' ' ' LEU . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 72.4 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' LEU . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.22 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 71.22 109.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.04 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.869 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.23 111.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 74.04 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 115' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 64.55 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.34 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.53 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.852 ' HB2' HD12 ' A' ' 111' ' ' ILE . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.22 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.04 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 70.23 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.986 -0.428 . . . . 64.12 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.11 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.21 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 45.13 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 43.12 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 73.33 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 51.02 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.31 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 61.42 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.51 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 61.25 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.8 p-80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.54 109.617 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 62.32 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.742 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.52 109.344 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 62.33 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.3 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.754 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 71.32 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 53.2 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.21 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 73.42 109.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.11 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 45.41 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.32 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.856 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 60.42 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.11 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 45.53 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.43 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.15 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.12 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.622 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.33 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.42 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD23 HG13 ' A' ' 70' ' ' VAL . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 54.45 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.13 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.22 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 73.43 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.32 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' C ' HD23 ' A' ' 57' ' ' LEU . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 72.44 109.319 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 71.21 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 62.31 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.856 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.12 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 72.35 110.407 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 63.22 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.33 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.43 109.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.21 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.23 110.055 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 70.45 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 62.34 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.31 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 88' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.51 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.54 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.33 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.864 HD11 HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.35 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.729 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 62.41 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 64.35 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.801 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.44 109.632 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.15 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.32 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 62.23 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 71.44 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 64.25 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 61.53 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 60.03 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.41 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.14 109.266 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.713 ' OD2' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.22 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.605 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 72.1 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 70.31 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.33 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.818 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 51.21 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.818 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.8 m-70 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.53 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.22 110.97 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.445 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.31 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 50.03 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 109' ' ' ILE . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.3 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.11 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.4 p-80 -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.14 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.02 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.777 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.51 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.44 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.619 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.53 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.04 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 63.34 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 72.31 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.924 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 70.22 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.651 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.35 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.01 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.43 110.997 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 126' ' ' LEU . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 62.42 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.3 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.603 ' OG ' HD11 ' A' ' 96' ' ' LEU . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 64.23 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.718 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 63.35 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.458 HG21 HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.32 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.14 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.895 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.11 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.718 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 74.52 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 54.45 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.22 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 70.44 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 52.11 110.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.01 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 65.54 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.3 111.004 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.98 -0.431 . . . . 74.45 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.4 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.714 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.24 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 71.45 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 51.02 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 73.42 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 72.22 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.24 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 52.13 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' HZ3' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 62.23 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 54.04 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.2 p-80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.34 109.599 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 62.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 72.11 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.661 ' O ' HD22 ' A' ' 37' ' ' LEU . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.1 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.411 HG22 HD22 ' A' ' 37' ' ' LEU . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.32 109.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' HD11 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.43 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.51 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 71.25 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.32 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 72.01 109.334 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 37' ' ' LEU . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 72.2 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.35 110.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.641 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 61.04 109.237 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 63.24 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 55.42 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 64.43 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.03 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.14 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.845 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.41 109.308 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 71.44 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 73.35 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.33 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.51 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 64.15 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.42 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.12 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.24 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.42 109.323 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.21 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.841 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.54 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.34 110.409 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.55 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 54.15 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.3 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 60.24 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 63.32 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 53.1 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 74.45 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.31 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.657 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 64.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.31 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.43 109.318 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.831 HD11 HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 71.42 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.802 ' N ' HD23 ' A' ' 74' ' ' LEU . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.22 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 27' ' ' LEU . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 72.04 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.714 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.03 109.631 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 61.34 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.11 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 52.23 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.11 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG11 HD11 ' A' ' 74' ' ' LEU . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.4 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.51 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.902 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.34 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.34 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.734 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.21 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 70' ' ' VAL . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.33 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 43.35 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.41 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.856 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 61.21 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.856 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.23 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 52.12 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.35 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.5 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.33 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.44 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.42 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 72.11 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.758 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.33 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.3 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.12 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.614 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 63.32 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.53 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 60.24 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 65.43 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.78 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.9 tp60 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.22 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.676 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.21 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 54.34 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.34 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 128' ' ' GLU . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 64.13 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.12 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.632 ' OG ' HD11 ' A' ' 96' ' ' LEU . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.13 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 73.1 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.31 109.29 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.13 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.902 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.24 110.966 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.514 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.252 -0.647 . . . . 73.31 109.252 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.543 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 74.33 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.21 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 72.03 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 71.2 110.346 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.744 ' HG3' HD23 ' A' ' 27' ' ' LEU . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.42 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.611 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 70.24 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.23 111.064 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.624 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 110.983 -0.43 . . . . 71.2 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 63.12 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.766 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.2 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.52 109.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 63.24 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 71.44 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 55.21 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 72.42 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 55.44 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.1 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 128' ' ' GLU . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.04 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.6 p-80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 60.54 109.583 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.642 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 64.41 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.623 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 72.15 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.22 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.781 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.33 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.04 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.23 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.11 109.264 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.12 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.587 ' OE2' HD21 ' A' ' 41' ' ' LEU . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 64.15 110.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.893 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 52.21 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.32 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.772 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.33 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.51 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 54.43 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.63 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 72.44 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.15 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 63.41 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.22 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 55.14 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.54 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 61.52 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 61' ' ' THR . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.22 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.3 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.43 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.11 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.15 109.32 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.13 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.05 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.893 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.11 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 63.02 110.383 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 67' ' ' CYS . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.12 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.42 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 91' ' ' THR . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.05 109.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' HG21 ' A' ' 62' ' ' ILE . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.33 108.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.41 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 71.44 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.34 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.03 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 71.42 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.916 HD11 HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.4 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.624 HG11 ' CG ' ' A' ' 17' ' ' PRO . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 63.52 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 73.01 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.766 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.2 109.609 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.4 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.43 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.31 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.11 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.916 HG11 HD11 ' A' ' 74' ' ' LEU . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 61.13 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.14 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 71.35 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.11 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.21 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 70' ' ' VAL . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.04 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 61.21 109.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.44 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.922 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.13 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.922 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.23 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.12 111.0 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 63.22 110.419 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.14 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD11 ' OG ' ' A' ' 113' ' ' SER . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 42.35 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.13 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.5 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.1 p-80 -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.2 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.42 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.749 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 73.51 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.865 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.01 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.14 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 52.12 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.12 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 71.52 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.42 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.865 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.41 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.23 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.41 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 71.14 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 126' ' ' LEU . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 72.51 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 72.35 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.814 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.14 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.14 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 61.21 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.51 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.786 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.31 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.326 -0.62 . . . . 70.24 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.02 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 65.42 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.02 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.24 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 27' ' ' LEU . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 52.21 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.628 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 63.34 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 64.41 111.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.71 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 73.33 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.803 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 65.43 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.54 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.24 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 63.23 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.35 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.23 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 34.4 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.2 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 29.1 p-80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.02 109.614 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.14 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.695 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 71.53 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.42 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.539 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 42.31 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.11 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.41 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.12 109.323 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 64.03 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.44 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.742 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 71.25 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.3 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.833 HD13 ' CE2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.2 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.24 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 53.15 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.43 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 43.32 110.341 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.41 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 62.11 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.35 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.706 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 HG13 ' A' ' 70' ' ' VAL . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.31 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.54 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 53.4 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.726 HH21 HH11 ' A' ' 69' ' ' ARG . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 71.32 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 64.24 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 44.14 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.43 109.302 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 70.54 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.52 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 72.02 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.833 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.45 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 70.14 110.37 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 71' ' ' HIS . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.4 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.44 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 71.52 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.31 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.13 109.981 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.5 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 45.14 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 60.51 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.726 HH11 HH21 ' A' ' 53' ' ' ARG . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 71.53 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.44 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 71.14 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.45 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.22 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.85 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.14 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.831 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.42 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.52 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.803 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.34 109.567 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.45 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.21 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.35 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.44 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.85 HG11 HD11 ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.32 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.04 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.33 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.14 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.23 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 70' ' ' VAL . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 72.03 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' ND2' ' A' ' 89' ' ' ASN . 0.0 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 45.14 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 52.25 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.863 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.33 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.863 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.4 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.35 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 62.11 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 63.22 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 52.14 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 52.5 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.9 p-80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.22 109.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 61.04 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 71.44 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.96 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.13 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 52.33 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 62.52 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.21 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 62.21 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 73.53 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.96 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.23 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.742 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 61.54 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 108' ' ' GLN . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 34.4 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 51.32 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.497 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 73.1 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.13 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 71.2 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.51 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 53.42 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.12 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.889 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 61.43 111.01 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.302 -0.629 . . . . 44.04 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 70.45 110.98 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.51 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.34 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.55 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.4 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.43 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.31 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.4 111.06 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.676 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.017 -0.417 . . . . 74.03 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.24 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.2 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 40.44 109.278 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 74.22 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.53 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.1 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.743 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 62.55 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.21 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 45.41 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 71.52 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 37.5 p-80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.23 109.551 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.42 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.816 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.53 109.304 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.756 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.15 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.02 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HB3' HD11 ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.3 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.13 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.11 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' HG13 ' A' ' 32' ' ' VAL . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.41 109.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.41 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 64.22 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 70.54 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.514 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 71.24 109.33 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.877 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.23 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 51.03 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.32 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.51 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.12 110.281 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.32 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.735 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.21 109.308 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.55 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 63.44 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.43 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.22 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 43.45 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.888 HH21 HH11 ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 62.01 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.4 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.22 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.2 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 71.05 109.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.02 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 63.41 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.877 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.33 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 62.34 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 63.22 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 61.33 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.2 109.608 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 54.03 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 44.12 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 64.54 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.888 HH11 HH21 ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 74.21 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 44.13 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 65.33 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.52 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.13 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.745 ' N ' HD23 ' A' ' 74' ' ' LEU . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 65.32 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.678 ' CE1' HD13 ' A' ' 27' ' ' LEU . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.32 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.612 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.51 109.596 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.14 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.459 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.12 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.34 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.22 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.52 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 74' ' ' LEU . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 65.53 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.21 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.805 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.2 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.13 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 64.2 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 71.35 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.21 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.553 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.11 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.908 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.23 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.908 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.31 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 44.41 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 54.33 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.21 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 41.52 109.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.33 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.9 p-80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.4 109.541 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.11 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 71.51 109.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 72.02 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.23 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.12 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 65.11 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.602 ' HG2' HD22 ' A' ' 101' ' ' LEU . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.4 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.586 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 63.11 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.13 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.14 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.35 109.272 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.02 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.3 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.663 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.33 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.32 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.2 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.805 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.21 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.663 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.625 . . . . 34.42 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 64.24 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.14 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.15 109.292 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.11 110.248 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.575 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 52.1 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.25 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.2 111.053 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.022 -0.415 . . . . 74.34 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.14 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.772 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.31 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 65.33 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.34 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.04 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.44 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.51 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 70.41 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 55.24 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 51.41 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.0 p-80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.1 109.601 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.45 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.678 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.4 109.356 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 31.31 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.54 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 44.14 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.42 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 74.53 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 73.13 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 33' ' ' LYS . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.24 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HD21 ' A' ' 41' ' ' LEU . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.42 110.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.32 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.31 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.03 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 54.22 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.51 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.43 110.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.602 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 51.23 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 72.21 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 64.31 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.602 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.41 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 70' ' ' VAL . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 63.22 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.6 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 73.41 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 72.33 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.604 ' O ' HG22 ' A' ' 61' ' ' THR . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.44 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.4 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.15 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' C ' HD23 ' A' ' 57' ' ' LEU . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.05 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.21 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.21 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.13 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 61.3 110.413 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.22 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 70.3 109.56 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.32 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' CYS . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.44 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.43 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.05 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.41 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 30.54 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 65.5 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.12 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 72.24 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG11 ' CG ' ' A' ' 17' ' ' PRO . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.24 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 60.43 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.772 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 70.41 109.574 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.35 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 55.52 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.35 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.33 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.24 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 55.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 64.45 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.787 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.35 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.52 109.299 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.813 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.55 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 70' ' ' VAL . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.33 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.32 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 44.23 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.34 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.42 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.51 111.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.419 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.23 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.01 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.754 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.03 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 71.23 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 3.8 p-80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.21 109.59 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.45 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.787 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 62.24 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.14 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.42 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.13 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.44 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.21 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 54.32 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.909 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 51.32 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.603 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.13 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.41 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 60.43 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 126' ' ' LEU . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 72.25 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.01 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.754 ' OG ' HD11 ' A' ' 96' ' ' LEU . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.22 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.827 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.41 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 25.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.2 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.787 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 71.23 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.827 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 65.44 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.24 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 51.41 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.24 109.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 70.3 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.51 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.12 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.002 -0.422 . . . . 60.42 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.43 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.672 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.23 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.14 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 64.33 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.42 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 60.14 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.658 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.55 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.13 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.1 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 60.01 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 43.8 p-80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.21 109.566 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.3 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.744 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.44 109.301 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD22 ' A' ' 37' ' ' LEU . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.53 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.811 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.21 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 51.43 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 63.03 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 32' ' ' VAL . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.45 109.281 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.811 HD11 ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 72.24 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' HD11 ' A' ' 37' ' ' LEU . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.43 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.12 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.3 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.23 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.21 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' HG22 ' A' ' 42' ' ' ILE . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.51 110.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.1 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 71.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 73.33 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.583 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.04 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 61.22 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.415 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.4 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.2 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.13 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.03 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.504 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 64.41 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.4 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.21 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.8 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.11 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 61.23 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 71' ' ' HIS . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 53.5 109.355 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.13 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.15 109.6 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.11 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' CYS . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.14 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.13 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 64.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.43 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.574 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.04 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 62' ' ' ILE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 65.05 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 51.22 109.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.4 109.269 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 83' ' ' VAL . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 53.01 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.572 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.53 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.65 ' CE1' HD13 ' A' ' 27' ' ' LEU . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 54.44 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.52 109.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 62.41 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.453 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 64.5 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 34.44 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 65.43 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 74' ' ' LEU . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.25 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.31 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.15 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.51 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 71.24 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.491 HD12 HG12 ' A' ' 70' ' ' VAL . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.13 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.04 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.1 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.15 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.23 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.42 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 63.53 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.13 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.594 HD11 ' OG ' ' A' ' 113' ' ' SER . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 54.31 109.331 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 64.42 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 1.8 p-80 -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.41 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.12 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.729 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 63.2 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.12 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.12 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 64.13 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.3 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 71.45 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 64.24 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.804 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 62.22 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.571 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.34 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 61.21 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.451 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.33 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.22 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.594 ' OG ' HD11 ' A' ' 96' ' ' LEU . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.4 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.826 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 64.32 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.34 109.328 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 31.51 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.1 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.02 110.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.826 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 73.34 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.05 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 53.33 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.35 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.45 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.32 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.691 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.03 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.13 111.007 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 110.981 -0.43 . . . . 62.21 110.981 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.21 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.624 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 44.1 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 64.22 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 71.51 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.4 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 64.32 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.34 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.24 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 71.43 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.2 109.585 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.521 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.1 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.681 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.04 109.241 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 60.22 109.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.44 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.34 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 65.11 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 65.34 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.21 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.33 109.264 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 61.34 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.32 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.528 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.05 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.43 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 60.54 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.13 109.353 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.33 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.21 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.32 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 63.04 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.11 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.609 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.35 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 74.42 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.521 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.45 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 60.31 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 61.23 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 54.03 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.14 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 65.21 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 70' ' ' VAL . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 43.01 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 62.15 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.823 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 71.21 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 72.14 110.387 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.34 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.44 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 61.51 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.41 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 53.22 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.45 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.32 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.55 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.611 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 70.13 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.42 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 64.44 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.4 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.886 HD11 HG11 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.33 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.673 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 62.32 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CE1' HD13 ' A' ' 27' ' ' LEU . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.55 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.624 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 70.22 109.55 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 72.21 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.32 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.886 HG11 HD11 ' A' ' 74' ' ' LEU . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.14 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 70.02 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.874 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.22 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 64.34 109.297 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.792 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 70.11 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.24 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 63.33 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.04 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.848 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 51.01 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.848 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.22 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 31.24 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 53.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.33 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.809 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.41 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.31 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.8 p-80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 54.13 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.747 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.43 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.841 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 72.11 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.1 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.635 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.2 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.45 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.53 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 60.54 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.841 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.9 tp60 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 50.43 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.628 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.32 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.44 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.55 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 126' ' ' LEU . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.35 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.12 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.809 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.32 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.567 ' O ' HD12 ' A' ' 96' ' ' LEU . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 34.44 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 52.43 109.284 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.15 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.874 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 71.51 111.014 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.3 -0.63 . . . . 60.34 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 70.11 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 70.35 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.45 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.578 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 70.23 110.302 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HG3' HD23 ' A' ' 27' ' ' LEU . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.15 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.03 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 54.33 111.016 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.995 -0.425 . . . . 71.12 110.995 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.21 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 71.21 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.55 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 45.04 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.41 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.03 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.31 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.33 111.021 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.14 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.0 p-80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.14 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 62.32 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.674 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 71.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.41 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 38' ' ' ILE . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.05 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 24.22 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.13 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 32' ' ' VAL . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 70.53 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.34 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 33' ' ' LYS . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.43 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 63.13 109.261 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.54 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.794 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 53.24 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.21 109.235 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 25' ' ' PRO . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 53.45 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.31 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.43 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 73.45 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.13 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 64.44 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD23 HG13 ' A' ' 70' ' ' VAL . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.03 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 71.13 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 61.31 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.691 HH21 HH11 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 72.01 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 65.22 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.15 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.524 ' OD2' HD23 ' A' ' 57' ' ' LEU . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 61.3 109.295 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' PRO . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 71.24 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.13 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.23 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.21 110.408 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 67' ' ' CYS . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.21 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.1 109.618 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.15 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 55.41 109.971 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 62' ' ' ILE . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.23 108.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.05 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.691 HH11 HH21 ' A' ' 53' ' ' ARG . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.13 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG12 HD12 ' A' ' 88' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.22 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.712 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.25 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 65.42 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.35 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.32 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.718 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 72.23 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.687 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.34 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 63.55 109.645 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.13 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.02 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.42 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.03 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.41 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 74' ' ' LEU . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.2 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.23 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.33 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.33 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 70' ' ' VAL . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 73.44 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.31 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.712 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.786 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 55.14 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.4 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 70.33 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 65.52 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 71.22 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.474 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 63.41 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 72.01 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 65.45 109.587 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.14 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 72.22 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 71.22 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 64.3 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 62.04 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.42 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 62.32 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.11 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.52 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 52.2 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.54 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 70.22 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.43 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 65.32 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.42 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.629 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 71.24 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.42 109.292 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.1 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.629 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 61.32 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.42 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.11 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.54 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.566 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.05 110.288 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.22 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.11 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.2 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 62.33 111.015 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.03 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.628 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 70.03 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.2 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.33 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 44.43 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 62.35 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 73.23 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 64.31 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 72.34 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 49.6 p-80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.04 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.526 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.622 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.45 109.273 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' HD22 ' A' ' 37' ' ' LEU . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.11 109.328 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 HD22 ' A' ' 37' ' ' LEU . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.44 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.33 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.13 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.31 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.601 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 72.22 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 70.31 109.309 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.67 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.34 110.365 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 41' ' ' LEU . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 70.32 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 62.12 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.13 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 51.11 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.24 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.23 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.51 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 64.44 109.332 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 54.3 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.34 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 58' ' ' CYS . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.52 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.32 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.44 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 73.32 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 71.23 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.14 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.527 ' OD1' HD23 ' A' ' 57' ' ' LEU . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.22 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD23 ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.35 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.708 ' HA ' HD13 ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 72.4 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.14 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.34 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.13 110.369 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.21 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 62.04 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.22 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.42 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 44.32 109.976 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 72.22 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 55.43 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.32 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG13 HD22 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 70.31 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.43 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 53.34 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.02 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 54.33 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.896 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 64.45 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.708 ' CE1' HD13 ' A' ' 27' ' ' LEU . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.41 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.628 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.42 109.652 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.14 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 71.55 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 65.5 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 62.03 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.44 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 74' ' ' LEU . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.14 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.53 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 54.23 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.15 109.29 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.826 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 50.15 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 61.23 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.03 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.23 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.22 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.24 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.33 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 65.21 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.846 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.21 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.54 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 65.44 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.14 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.737 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.24 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 71.44 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.34 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 73.51 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 64.2 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 71.13 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.881 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.6 tp60 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.2 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.654 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.43 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.02 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.12 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.846 ' OG ' HD11 ' A' ' 96' ' ' LEU . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.21 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 42.41 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.3 109.316 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.51 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.852 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 70.54 111.055 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 74.01 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.522 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 63.44 110.957 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.513 HG22 ' CD ' ' A' ' 127' ' ' ARG . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.13 110.407 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.11 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 65.13 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 63.15 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.21 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.11 111.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.02 -0.415 . . . . 74.23 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.43 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.526 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.44 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.41 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 54.43 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 70.25 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 62.21 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.54 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 63.31 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.24 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.719 HD11 ' HD2' ' A' ' 24' ' ' PRO . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.24 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.24 109.605 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.44 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.674 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.33 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.757 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.42 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 54.4 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.44 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.43 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 65.43 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.646 HD11 ' HG2' ' A' ' 33' ' ' LYS . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 52.54 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 37' ' ' LEU . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.31 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.602 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 60.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.23 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.578 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 50.42 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.33 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 74.2 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.669 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.0 109.342 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.14 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.21 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 70' ' ' VAL . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 64.54 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.03 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 43.21 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 63.4 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.3 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 71.32 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.31 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 70' ' ' VAL . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.44 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.42 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.05 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 71' ' ' HIS . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 72.32 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.23 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 53.21 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 52.34 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.22 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 72.35 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 43.24 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.629 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 55.24 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.792 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.11 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.43 109.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 63.03 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.44 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.727 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 63.3 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.31 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.526 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.41 109.593 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.43 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.12 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.23 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.23 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.34 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 74' ' ' LEU . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 63.4 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.21 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.2 109.314 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.53 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.22 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 53.23 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.792 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.15 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.932 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 62.33 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.932 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.13 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 62.21 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 64.51 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 64.24 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.573 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.3 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 55.04 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.56 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 4.7 p-80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.12 109.574 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' PHE . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 62.34 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.24 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.32 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.34 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.41 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.43 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.05 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.45 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.03 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 74.34 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.23 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 128' ' ' GLU . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.21 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 65.24 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 96' ' ' LEU . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.32 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.1 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.41 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.855 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.42 110.968 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.335 -0.617 . . . . 73.02 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 62.35 110.999 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.34 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.23 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.45 110.316 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.41 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.15 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 55.12 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.695 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.038 -0.408 . . . . 74.14 111.038 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.21 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.702 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 64.41 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.42 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.11 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.54 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 74.4 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.644 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 62.44 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.4 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 54.43 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 24' ' ' PRO . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.23 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 31.1 p-80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 61.21 109.591 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.15 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.741 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.704 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.02 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 61.02 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.42 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.01 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.11 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.44 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 64.1 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 63.33 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.52 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.726 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.42 109.247 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 71.25 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.04 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.1 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 64.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.01 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.33 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.35 109.289 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.24 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.24 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 HG13 ' A' ' 70' ' ' VAL . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 70.2 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.05 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.22 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.44 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.43 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 62.52 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.1 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.23 109.273 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' PRO . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.51 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.3 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.42 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.41 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 61.55 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.42 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.1 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.12 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 50.43 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.01 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.11 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 88' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 73.4 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 73.42 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.51 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.43 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.22 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 17' ' ' PRO . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.42 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.616 ' CE1' HD13 ' A' ' 27' ' ' LEU . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 50.52 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.702 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.32 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.33 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.21 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.12 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.55 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 74' ' ' LEU . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.1 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 70.2 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.856 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.02 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 54.31 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.15 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.557 HD12 HG12 ' A' ' 70' ' ' VAL . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 54.41 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.15 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 61.11 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.84 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.22 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.84 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.33 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.2 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.44 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 74.42 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.8 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.02 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.41 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.3 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.739 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.42 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 63.21 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.41 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.622 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.53 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 63.15 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 74.41 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.23 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.21 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.673 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.23 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 108' ' ' GLN . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.33 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.11 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 126' ' ' LEU . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.31 109.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.8 ' OG ' HD11 ' A' ' 96' ' ' LEU . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 64.03 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 96' ' ' LEU . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.2 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.13 109.318 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.01 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.856 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.44 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 52.43 109.265 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.43 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 52.05 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.21 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 72.32 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.4 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 43.54 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.661 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.037 -0.409 . . . . 73.44 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 70.23 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 63.24 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.55 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.32 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.24 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 73.13 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.42 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.34 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.12 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 30.5 p-80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.02 109.614 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 63.21 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.869 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.23 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' HD22 ' A' ' 37' ' ' LEU . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 55.4 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 62.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 73.44 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.1 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.12 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.545 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 63.51 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.32 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' CG ' ' A' ' 33' ' ' LYS . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.51 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.713 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.14 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.628 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.2 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.04 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.35 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.45 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.21 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.3 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 61.04 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 63.34 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.24 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 63.12 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 53.35 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.14 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 35.5 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 61' ' ' THR . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.22 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.31 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.21 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' C ' HD23 ' A' ' 57' ' ' LEU . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 63.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.02 109.275 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.471 ' SG ' HG13 ' A' ' 70' ' ' VAL . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 63.13 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.54 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.11 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.42 110.413 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 ' SG ' ' A' ' 67' ' ' CYS . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 74.32 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.23 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.13 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.53 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.34 109.988 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.517 ' SG ' HG21 ' A' ' 62' ' ' ILE . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.53 108.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.04 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.539 ' NH1' HH21 ' A' ' 53' ' ' ARG . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.3 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.63 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.44 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.12 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 51.45 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 42.34 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.911 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 53.21 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 17' ' ' PRO . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 71.14 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.13 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.42 109.554 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.44 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 73.45 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.54 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.12 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 64.24 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.911 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.34 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.511 ' N ' HG12 ' A' ' 83' ' ' VAL . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 72.34 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.86 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.44 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.02 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 64.24 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 63.42 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.35 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 62.22 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 73.45 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.833 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.3 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 63.32 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.1 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.411 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 73.21 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 55.01 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.25 109.261 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.13 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.502 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.1 p-80 -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.42 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.33 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 71.13 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.24 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.34 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 2.9 m-70 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.34 109.611 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.14 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.34 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.847 ' HB3' HD13 ' A' ' 101' ' ' LEU . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.43 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.24 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 108' ' ' GLN . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 53.52 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 51.12 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 72.02 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.13 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.66 ' OG ' HD11 ' A' ' 96' ' ' LEU . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.21 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 62.4 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.688 HG23 ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 70.35 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.688 ' N ' HG23 ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.43 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.86 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 54.45 110.992 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.637 . . . . 54.01 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.636 ' HB2' HG22 ' A' ' 115' ' ' VAL . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.22 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 62.03 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 71.22 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.13 110.317 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 111' ' ' ILE . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 64.21 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.22 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 63.44 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.023 -0.414 . . . . 73.12 111.023 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.23 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.679 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.31 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.42 109.246 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.35 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.692 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.23 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 73.22 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.43 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.02 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.52 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 38.0 p-80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.44 109.566 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.13 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.773 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 53.54 109.296 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.737 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 63.45 109.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.3 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HB3' HD11 ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.23 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.32 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.23 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.51 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 61.41 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 55.23 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.52 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 61.34 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.772 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 44.43 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.21 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 73.32 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 73.1 110.26 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.668 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.54 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.783 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.1 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.02 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.668 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.35 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 70' ' ' VAL . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.21 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.53 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.54 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.33 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' THR . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.21 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 72.01 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 65.13 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' C ' HD23 ' A' ' 57' ' ' LEU . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 70.32 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.14 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 72.11 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.869 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.4 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 63.34 110.435 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 62.51 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.34 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.04 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.22 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.548 ' O ' HG21 ' A' ' 91' ' ' THR . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.34 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.54 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 62.14 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.22 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.02 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.4 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 55.43 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 83' ' ' VAL . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.33 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.635 ' N ' HD23 ' A' ' 74' ' ' LEU . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.2 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 64.34 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.679 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.2 109.636 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.32 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 72.3 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 72.53 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.32 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' LEU . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 62.12 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 71.53 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 72.33 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.15 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.43 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.43 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 73.41 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.573 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.24 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.916 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.12 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 72.14 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.51 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.21 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 65.34 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 114' ' ' THR . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 64.15 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 33.01 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.34 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.32 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.13 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 72.53 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.45 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 62.13 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.54 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.414 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.24 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.54 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' HD22 ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.12 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.629 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.31 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 65.54 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.52 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 53.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.13 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 96' ' ' LEU . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.33 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.837 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.1 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.11 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.13 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.781 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.11 111.053 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.837 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.334 -0.617 . . . . 74.13 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.41 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 65.34 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 70.43 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.41 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.43 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.23 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.15 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.55 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.018 -0.416 . . . . 62.15 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.35 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.34 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.69 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.22 109.328 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 53.22 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 63.03 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 51.13 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.701 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.12 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 70.4 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.1 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.701 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.45 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 39.7 p-80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.41 109.587 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.03 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.779 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.42 109.266 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.732 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.12 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.53 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.806 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.34 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.13 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.1 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.01 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 70.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.45 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD11 ' A' ' 37' ' ' LEU . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 72.01 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.3 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 55.41 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 29' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.11 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.31 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.44 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 71.11 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.69 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.21 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.11 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.627 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 64.04 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.561 HD23 HG13 ' A' ' 70' ' ' VAL . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.32 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 71.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 72.51 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.01 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.54 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 71.22 109.285 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' LEU . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 60.22 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.13 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 63.53 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 64.41 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 61.33 109.616 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.12 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.41 110.026 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.32 108.298 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.44 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 70.35 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 50' ' ' LEU . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.02 109.307 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.11 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.32 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.3 109.338 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.892 HD11 HG11 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.12 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' N ' HD23 ' A' ' 74' ' ' LEU . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.14 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' A' ' 27' ' ' LEU . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.01 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.53 109.609 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 63.03 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.43 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 43.24 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 61.32 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 51.2 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.892 HG11 HD11 ' A' ' 74' ' ' LEU . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.04 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 71.4 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.32 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.13 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.799 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 70.32 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 70' ' ' VAL . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.14 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.4 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 65.2 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.818 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.3 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.818 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.11 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 51.13 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 55.01 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.54 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.11 109.253 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 51.32 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 1.9 p-80 -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.1 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.21 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.768 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 53.32 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.927 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 52.25 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.2 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.03 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 55.51 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.2 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.927 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.8 tp60 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 65.32 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 71.33 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 50.32 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.23 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 63.11 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.53 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.45 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.599 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.41 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.21 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.33 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.877 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.42 111.015 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.289 -0.634 . . . . 65.33 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.15 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.42 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.15 110.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.593 ' HG3' HD23 ' A' ' 27' ' ' LEU . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.45 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 55.13 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 44.3 110.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.535 0.207 . . . . 70.12 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.4 179.4 6.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.02 109.345 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.24 122.28 27.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 65.21 109.283 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.68 43.93 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 74.44 109.262 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 5' ' ' VAL . 33.5 m -66.41 110.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 74.33 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.91 -15.67 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.21 109.283 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -59.54 139.44 57.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 62.05 109.972 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.51 -176.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 61.33 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -73.14 -60.02 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.12 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.85 ' C ' HD22 ' A' ' 11' ' ' LEU . 7.8 p -171.42 121.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 61.3 109.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' C ' ' A' ' 10' ' ' SER . 2.3 mm? -126.52 157.77 69.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 71.14 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 54.24 110.997 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.69 -7.71 12.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 53.45 109.313 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 44.1 t80 -175.87 170.49 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.13 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 23.9 t0 -141.14 107.05 5.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 54.02 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 15.4 t -63.11 135.09 96.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 64.54 108.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.97 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 75.03 110.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 t -113.43 -3.3 13.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.13 110.378 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.777 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.1 p-90 -95.07 -4.47 46.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 70.41 107.991 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.42 144.32 37.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 75.13 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -135.94 -121.07 2.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 70.41 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.34 118.45 6.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 73.23 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.614 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.97 145.25 31.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 75.1 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.0 159.37 41.45 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.554 1.818 . . . . 72.31 111.048 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.07 4.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 65.13 111.029 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.85 30.91 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 65.52 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.5 mt -129.95 163.27 26.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.737 . . . . 71.32 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 36.7 p-80 -176.17 144.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 75.03 109.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.48 173.52 8.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 63.41 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.735 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -158.65 167.56 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 62.01 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.67 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -140.37 142.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 75.54 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -138.1 130.38 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 61.32 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.97 -19.2 61.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.3 109.302 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.22 -60.44 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 52.43 111.044 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.83 21.86 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 73.21 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.9 ttpt -145.93 130.21 17.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 61.44 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.8 tm? -70.05 119.19 13.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 70.51 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.803 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.4 mm -77.69 -75.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 65.24 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.558 ' O ' HD11 ' A' ' 37' ' ' LEU . 6.1 pt-20 -130.74 -174.53 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 75.52 110.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.9 ttmt -141.04 146.51 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 70.3 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.821 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -137.39 168.28 19.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 75.44 109.318 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.23 148.48 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.53 109.334 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.67 13.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 53.03 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -107.9 52.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 63.15 109.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.7 mt-10 -137.81 -45.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 74.21 110.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.68 -170.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 71.2 109.339 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.25 -4.52 10.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 73.15 109.302 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.77 124.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 73.24 110.957 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.586 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.88 -166.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 71.03 111.025 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD21 HD23 ' A' ' 13' ' ' LEU . 3.9 mp -130.18 174.71 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 52.23 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.6 m-85 -162.93 108.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.05 110.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.47 -99.07 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 52.51 110.987 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -159.95 -41.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 72.41 110.275 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.7 111.1 23.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.1 -20.92 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.563 1.823 . . . . 74.23 110.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.2 t70 -58.97 -16.13 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 74.34 109.345 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.65 -48.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.14 109.298 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 50' ' ' LEU . 59.7 m -90.74 168.23 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 63.01 108.24 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.18 -32.56 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.44 109.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -109.44 -169.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 71.12 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -154.18 119.97 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 41.15 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.6 -34.69 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 74.45 109.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 73.46 53.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.12 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -151.84 136.86 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.43 109.626 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -69.29 -39.84 78.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 71.13 110.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.745 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -52.35 -53.34 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 72.55 109.99 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 57.8 m -54.05 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 73.43 108.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -135.73 167.06 21.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.23 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.0 mpt_? -40.78 -47.25 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.44 110.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.2 t -125.58 65.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 41.5 109.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.3 t60 -49.2 -48.0 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.11 109.607 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.69 -176.07 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.5 109.316 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -146.97 147.38 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 71.12 109.285 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 75' ' ' VAL . 2.9 tt -99.65 161.18 13.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.885 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.7 t -154.49 127.31 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.1 109.322 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 71.2 t80 -93.24 110.6 22.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 63.24 111.004 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.777 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.72 156.77 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.14 109.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -114.96 -42.89 3.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.13 109.267 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.438 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.4 m-70 -74.05 -11.02 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 73.31 109.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 45.1 mt -117.15 -27.74 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 62.03 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 36.33 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 75.32 109.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.74 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 73.44 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 74' ' ' LEU . 95.3 t -117.13 165.71 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.32 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.8 m-85 -146.6 150.34 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.41 110.965 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.49 107.93 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.32 109.264 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -93.89 108.2 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 43.24 109.331 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 4.5 t70 -71.82 96.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 72.03 109.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.545 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -71.33 83.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 73.01 109.263 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 32.42 52.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 64.33 109.27 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.613 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.5 t -54.98 137.96 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 54.22 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.792 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -39.64 -47.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 64.13 110.356 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.792 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.1 m-70 -103.39 -72.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 74.42 109.588 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 163.33 166.86 22.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 31.45 110.971 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -117.87 149.05 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 64.41 110.354 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.6 m-85 -135.04 168.1 19.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 71.22 111.012 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.8 tp -119.69 55.18 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.51 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.38 -65.39 1.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 71.12 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.2 p-80 -138.84 13.58 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 71.12 109.561 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.508 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.4 mt -120.15 149.5 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 63.14 109.305 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.72 140.44 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.1 110.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -110.85 149.01 31.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 74.44 109.305 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -79.15 149.84 73.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 71.12 110.319 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.549 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 52.23 110.99 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 167.0 -44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 74.1 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -74.81 127.65 86.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 73.21 109.29 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.47 42.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 55.35 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' HD22 ' A' ' 101' ' ' LEU . 27.6 tp60 -139.55 111.45 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 62.32 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 65.12 110.31 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -140.0 108.6 6.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 62.11 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.86 32.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 61.41 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.8 mm -70.56 152.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 54.14 109.334 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.96 19.58 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 60.42 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.4 t -76.33 -170.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.04 110.053 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.899 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 95.4 m -154.6 128.17 8.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 63.14 110.43 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -128.64 147.55 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 63.1 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 p -133.89 110.8 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 73.11 109.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 -67.6 -173.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.34 110.972 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -51.66 -88.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 34.43 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.745 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -67.96 -69.89 0.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 0.755 . . . . 71.42 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -36.21 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 70.13 110.019 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.4 p -73.24 -1.82 19.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.33 110.415 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.649 HH12 HG21 ' A' ' 38' ' ' ILE . 15.4 mmt85 -47.45 175.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 72.42 110.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.899 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.67 61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 71.14 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 115' ' ' VAL . 9.8 m-30 -35.55 96.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.23 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 123' ' ' ALA . 4.3 m -89.74 93.93 9.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.23 110.406 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -67.91 108.19 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.11 109.28 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -96.83 -173.93 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 63.33 110.293 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.9 tt0 -156.76 105.75 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.41 110.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 14.3 mtpp -36.79 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 73.02 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.05 -162.22 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 72.04 111.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.88 145.82 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 52.14 110.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 73.13 110.406 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 72.4 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.27 35.35 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 72.14 109.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.79 161.61 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 63.1 109.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.07 67.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 24.31 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -74.88 -21.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.21 109.329 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -104.34 55.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.3 109.302 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 t -136.97 177.92 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 74.35 109.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.88 -173.5 45.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 50.44 110.962 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.5 125.05 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 44.15 110.05 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -175.21 154.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 73.41 110.034 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.2 156.82 9.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 63.41 109.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 72.52 111.019 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -113.9 -12.15 12.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 62.14 109.305 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 88' ' ' LEU . 11.9 t80 -170.3 151.68 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 74.44 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 1.5 p-10 -95.79 115.39 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 70.23 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -87.35 138.15 32.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 60.41 108.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.07 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 74.41 110.974 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -121.16 1.27 10.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 65.44 110.422 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.798 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.1 p-90 -96.12 -6.27 38.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.33 107.975 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.19 144.21 44.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 60.34 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.8 -118.24 1.87 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 74.33 110.99 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 117.2 5.55 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 74.44 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.44 30.26 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.773 . . . . 70.41 111.025 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.0 160.14 40.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 72.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 72.01 4.79 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 73.43 111.005 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 30.14 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 44.23 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.9 mt -129.7 162.04 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 74.53 109.308 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.2 p-80 -176.27 144.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.1 109.587 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.9 mt -86.52 -176.52 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.22 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -166.96 163.02 16.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 74.44 109.352 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.614 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.9 t -134.26 145.1 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 65.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -142.39 129.73 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.04 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.45 -16.22 61.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 73.35 109.233 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.05 -59.1 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 51.33 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -137.45 22.6 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 72.53 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -146.98 128.41 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.44 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.3 tm? -67.5 120.0 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.44 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.819 HD11 ' HB3' ' A' ' 33' ' ' LYS . 33.4 mm -80.0 -73.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.54 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.5 pt-20 -134.79 -176.35 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 73.33 110.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.2 ttmt -134.69 154.74 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.3 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD13 ' CE2' ' A' ' 60' ' ' PHE . 6.8 mt -143.51 164.87 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 64.34 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.06 148.57 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.04 109.277 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.14 13.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 75.02 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 3.6 p30 -106.43 46.98 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 70.1 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 -47.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 61.41 110.284 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.67 -172.2 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 75.54 109.264 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.638 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.52 -5.38 11.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 75.13 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -160.93 125.2 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.31 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -170.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 65.24 110.966 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.0 mp -129.89 175.2 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.44 109.271 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.7 m-85 -165.16 110.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 74.12 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -101.41 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 53.25 111.048 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.15 -42.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 73.41 110.31 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.43 111.93 26.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 70.55 109.301 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.03 -20.97 16.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 70.1 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 20.1 t0 -59.24 -16.27 20.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 65.24 109.254 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.36 -47.95 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 63.03 109.316 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' A' ' 70' ' ' VAL . 59.9 m -91.47 163.98 13.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.14 108.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 49' ' ' TYR . 2.3 t70 -91.91 -32.83 15.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 62.32 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.847 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.7 m-30 -106.13 -169.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 65.22 110.989 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.28 121.51 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 62.12 110.437 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.15 -31.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 70.04 109.27 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 61.16 68.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 63.31 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' CD2' ' OG ' ' A' ' 120' ' ' SER . 0.6 OUTLIER -143.08 -161.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 74.33 109.598 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -122.5 -37.27 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 61.42 110.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.419 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.2 m -77.96 -40.28 39.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.04 110.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.515 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 23.4 p -46.21 170.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 52.53 108.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 10.0 t -130.18 163.01 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 74.42 109.974 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.7 mpt_? -36.55 -51.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 62.42 110.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.58 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.01 64.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 74.23 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.29 -49.77 12.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 64.11 109.617 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.38 -172.06 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 61.53 109.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.26 148.67 28.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 63.11 109.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.829 HD11 HG11 ' A' ' 83' ' ' VAL . 7.9 tt -100.84 153.4 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 55.14 109.256 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.716 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.5 t -148.06 125.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 75.44 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 69.0 t80 -90.1 112.5 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 75.25 111.015 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.798 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.46 156.72 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 64.53 109.601 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -115.8 -42.63 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.22 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -74.61 -10.8 59.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 62.31 109.609 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 56.4 mt -116.67 -28.61 6.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 72.32 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? 69.54 36.5 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 72.42 109.302 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.22 -165.02 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 73.11 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 74' ' ' LEU . 57.7 t -120.09 166.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 63.44 109.32 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' N ' HG12 ' A' ' 83' ' ' VAL . 19.0 m-85 -147.29 154.86 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 72.54 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.63 107.75 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 73.35 109.306 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.35 107.67 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 74.54 109.306 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.805 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -68.87 83.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 62.52 109.31 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 14' ' ' PHE . 17.3 mt -59.51 82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 73.1 109.332 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 37.75 49.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 61.33 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -53.27 137.64 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 35.51 109.961 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.816 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.95 -47.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 73.12 110.431 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.816 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -111.43 -53.4 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 63.41 109.596 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.88 169.69 14.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 73.34 111.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 m -112.17 157.32 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 55.14 110.322 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -137.42 160.84 37.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 73.22 110.955 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 113' ' ' SER . 7.5 tp -109.23 44.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 74.5 109.286 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.63 -55.9 2.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 72.13 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.577 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -135.38 8.75 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.31 109.598 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.9 mt -126.05 163.22 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.52 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.803 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -122.37 151.36 41.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.14 110.284 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.1 158.42 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 52.04 109.295 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 105' ' ' LYS . 7.6 mt-10 -82.7 156.84 67.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.3 110.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.01 50.92 2.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 72.42 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 170.39 -40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 73.22 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 5.9 mtmt -75.67 125.05 88.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 63.02 109.308 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.79 43.26 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.563 1.823 . . . . 74.04 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.867 ' HB3' HD13 ' A' ' 101' ' ' LEU . 29.2 tp60 -136.32 111.05 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 71.55 110.322 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.699 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.77 165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 65.1 110.305 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.0 mm -141.3 108.74 6.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 70.12 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.52 26.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 71.2 110.979 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 128' ' ' GLU . 36.8 mm -71.64 151.47 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 72.42 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 55.72 18.45 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 72.24 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 96' ' ' LEU . 27.9 t -76.41 -171.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 53.13 109.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 73.7 m -152.29 135.41 15.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 74.21 110.408 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -130.37 147.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.11 109.294 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 p -134.94 110.86 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 63.12 110.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.7 m-85 -72.84 163.24 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 75.21 110.993 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -54.87 -77.01 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 62.51 110.996 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.515 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -46.08 -83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 72.54 109.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 64' ' ' HIS . 1.7 m -63.33 129.28 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 72.14 109.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 122' ' ' ARG . 7.9 p -90.04 13.82 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.05 110.431 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.438 ' NH1' ' CB ' ' A' ' 33' ' ' LYS . 17.4 mmt180 -49.47 179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 74.22 110.318 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -137.04 58.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 54.33 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 115' ' ' VAL . 11.5 m-30 -43.8 114.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 72.22 111.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.2 m -104.88 106.07 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.01 110.421 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.51 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.3 tm? -73.65 109.89 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 54.12 109.326 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -173.45 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 74.45 110.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HB2' HD12 ' A' ' 111' ' ' ILE . 23.1 tt0 -155.77 106.29 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.32 110.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' GLU . 65.2 mttt -38.16 99.02 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 64.33 109.273 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 73.54 111.036 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.29 154.25 41.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 70.34 110.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 74.15 110.416 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.513 0.197 . . . . 71.24 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.63 101.16 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 63.21 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.57 169.71 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 75.4 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.36 51.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 64.34 109.307 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -123.3 143.98 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.02 109.331 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 10.5 p-10 -59.7 151.01 26.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 73.21 109.325 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t -126.24 62.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.34 109.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.54 146.05 16.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 60.35 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.64 92.33 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 73.2 110.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 p -169.85 174.62 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 75.13 109.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.76 157.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 64.03 109.265 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.783 . . . . 64.41 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.58 -27.01 9.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.32 109.296 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 4.0 t80 -167.14 157.6 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.51 110.959 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -123.91 115.53 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 65.21 109.296 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -66.39 142.44 97.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 65.11 108.276 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.96 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 74.2 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -113.36 -2.59 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.41 110.399 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.781 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.0 p-90 -95.96 -4.18 43.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 72.15 108.026 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.17 143.85 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.41 109.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.45 -119.28 1.95 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 70.12 111.008 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 118.11 5.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 72.22 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.6 30.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.435 1.755 . . . . 75.43 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.642 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -74.97 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 73.21 110.972 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.21 4.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.455 1.766 . . . . 73.21 111.022 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -172.3 30.66 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.152 . . . . 73.05 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD11 ' HD2' ' A' ' 24' ' ' PRO . 15.6 mt -130.04 164.16 24.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 75.54 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 33.4 p-80 -177.35 145.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.32 109.607 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 7.1 tp -90.05 175.66 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 75.41 109.348 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.7 m-20 -160.57 165.0 31.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 75.41 109.266 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.7 t -136.41 149.47 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 71.22 109.278 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.8 t -147.67 138.28 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 54.22 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HB3' HD11 ' A' ' 38' ' ' ILE . 15.3 ptmt -77.55 -22.64 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.45 109.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.86 -57.68 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -136.74 18.39 3.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 74.52 109.271 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' C ' HG13 ' A' ' 32' ' ' VAL . 22.3 tttt -141.18 127.72 20.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 72.54 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -66.63 118.97 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 52.54 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 33' ' ' LYS . 13.4 mm -75.97 -73.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 74.44 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.2 pt-20 -138.74 -175.06 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 74.11 110.278 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.0 ttmt -135.37 155.27 50.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 75.33 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.4 mt -147.04 164.63 32.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 74.3 109.267 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.88 149.23 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.41 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.2 pp -141.66 14.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 73.54 109.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.4 p30 -108.97 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 52.35 109.247 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -133.76 -45.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 65.4 110.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.18 -171.8 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 63.34 109.311 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.85 -5.59 11.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 75.22 109.288 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.13 124.19 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -116.03 -168.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 74.34 111.003 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 13' ' ' LEU . 3.9 mp -130.52 177.21 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 62.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.542 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.2 m-85 -166.13 109.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 71.41 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -163.84 -102.96 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 65.24 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -155.72 -42.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 73.11 110.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.8 111.52 22.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 33.31 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -20.91 16.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 73.2 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.62 -15.61 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 55.22 109.318 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.5 -47.72 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 73.32 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 70' ' ' VAL . 43.2 m -92.28 164.75 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 74.41 108.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -92.58 -32.34 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 63.22 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.852 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -105.68 -169.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 53.12 111.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.97 117.78 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 74.4 110.448 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.537 HG22 ' OG ' ' A' ' 120' ' ' SER . 24.4 mt -66.71 -31.9 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.14 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t70 61.31 71.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 74.52 109.321 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -148.19 -163.94 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.02 109.629 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -119.19 -36.4 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.41 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.549 ' O ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.26 -42.03 38.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 74.34 109.968 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 25.0 p -46.47 168.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 65.23 108.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.6 t -129.65 164.93 22.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 60.31 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.87 -52.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.45 110.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.7 t -126.12 66.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 63.33 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.608 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 5.0 t60 -46.78 -49.8 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 71.53 109.61 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.07 -174.01 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 61.4 109.353 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -150.56 142.55 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.1 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.888 HD11 HG11 ' A' ' 83' ' ' VAL . 9.2 tt -94.84 156.44 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 44.13 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.613 ' N ' HD23 ' A' ' 74' ' ' LEU . 81.4 t -150.55 127.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.1 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 70.7 t80 -93.63 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 63.44 111.027 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.781 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -61.01 156.63 17.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 44.22 109.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -115.35 -42.85 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 74.51 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.433 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.3 m-70 -74.19 -10.08 59.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 74.11 109.598 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 65.9 mt -117.79 -28.31 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.23 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.18 36.38 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.32 109.32 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.51 -166.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.44 110.318 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.888 HG11 HD11 ' A' ' 74' ' ' LEU . 58.4 t -117.79 166.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 72.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.2 m-85 -147.32 151.39 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 73.11 111.041 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -124.02 106.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 72.14 109.279 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.09 109.29 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 75.22 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 14.4 t70 -70.03 86.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.32 109.278 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 89' ' ' ASN . 16.1 mt -62.68 80.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.41 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.517 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 31.93 53.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 55.52 109.261 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 t -56.82 141.69 43.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 73.44 110.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.898 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.84 -46.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 74.52 110.356 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.898 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -108.89 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 71.13 109.623 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.94 168.49 28.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 60.43 111.024 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 m -118.65 150.29 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 54.04 110.378 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.9 m-85 -133.28 166.35 22.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 52.25 111.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 113' ' ' SER . 17.7 tp -118.73 57.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 74.52 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 93.73 -65.1 1.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 51.31 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.526 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.5 p-80 -140.8 15.37 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 73.42 109.596 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.2 mt -120.91 150.28 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 73.22 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -104.26 141.33 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 72.12 110.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -113.09 147.37 37.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 73.42 109.281 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 5.7 mt-10 -76.97 150.2 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 65.52 110.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.571 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.2 Cg_endo -75.05 57.9 4.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.495 1.787 . . . . 72.41 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.8 m-70 166.94 -43.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 72.14 109.6 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -76.66 126.39 86.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 45.45 109.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.33 41.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 74.44 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' HG2' HD22 ' A' ' 101' ' ' LEU . 26.1 tp60 -139.33 112.72 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 73.12 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.738 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 62.51 110.344 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.738 HD13 ' O ' ' A' ' 108' ' ' GLN . 13.4 mm -140.31 110.38 6.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 72.52 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.442 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.96 162.65 36.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 72.42 111.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.51 HD13 ' CD1' ' A' ' 126' ' ' LEU . 29.5 mm -67.84 149.36 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 74.31 109.265 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' LEU . 30.4 m-20 55.09 18.73 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 33.31 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 96' ' ' LEU . 28.4 t -70.1 -169.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 61.44 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.493 ' N ' ' OG ' ' A' ' 113' ' ' SER . 90.0 m -154.95 128.24 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 62.42 110.372 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 116' ' ' SER . 1.7 m -123.09 -179.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 75.32 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.711 ' N ' HG23 ' A' ' 115' ' ' VAL . 4.2 p -169.84 114.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 53.03 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -75.1 -174.24 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 73.41 111.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 121' ' ' THR . . . -87.06 -48.49 4.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 40.11 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' THR . . . -62.84 -90.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 73.42 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.716 ' C ' HG23 ' A' ' 121' ' ' THR . 16.6 m -61.52 -47.94 83.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 64.12 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.716 HG23 ' C ' ' A' ' 120' ' ' SER . 1.0 OUTLIER 66.85 30.61 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.44 110.397 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.577 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 24.1 mmt85 -54.73 -169.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 64.02 110.275 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -123.77 55.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 50.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.634 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.7 m-30 -47.29 106.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 74.33 110.98 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.406 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 1.7 m -99.49 91.43 4.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 60.44 110.368 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -62.13 108.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 75.53 109.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.59 -174.18 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 72.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.476 ' HB2' HD12 ' A' ' 111' ' ' ILE . 18.1 tt0 -157.17 105.92 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 75.43 110.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.5 mttm -37.07 98.11 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 64.14 109.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.5 Cg_endo -74.95 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 61.22 111.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -46.47 144.52 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.44 110.298 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 70.51 110.401 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.545 0.212 . . . . 74.54 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.19 -177.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.102 . . . . 61.55 109.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.86 40.99 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 53.21 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 44.28 48.57 7.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 71.41 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.9 t -100.24 155.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 61.31 109.277 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -169.19 166.16 10.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 75.31 109.324 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 p -108.14 8.3 27.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 51.35 109.977 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.02 45.66 19.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.105 . . . . 54.43 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -71.28 -176.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 74.23 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' LEU . 13.5 m -76.77 130.7 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 74.04 110.026 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.6 OUTLIER 57.13 162.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 72.13 109.341 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 74.43 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.78 -29.17 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.32 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.767 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.5 t80 -164.45 159.99 20.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 65.24 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.5 t0 -128.22 113.87 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 71.53 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.2 p -65.95 139.81 96.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 73.45 108.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.614 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.96 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 74.22 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -113.21 -2.75 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 55.2 110.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.799 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -95.77 -3.78 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.23 108.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.33 144.44 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.44 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -133.5 -121.51 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 63.04 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.87 118.26 6.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 74.33 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.76 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 74.14 111.021 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.07 159.99 40.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 64.33 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 72.59 4.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 74.11 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.11 32.03 0.11 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.442 1.089 . . . . 75.12 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 24' ' ' PRO . 27.2 mt -129.86 161.87 29.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 73.05 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.1 p-80 -175.73 147.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 71.53 109.615 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 126' ' ' LEU . 4.5 mt -90.28 -173.77 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 61.14 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.83 169.57 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 72.31 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 95.6 t -144.06 142.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 74.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 t -140.26 134.78 35.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 74.4 109.338 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CG ' HD11 ' A' ' 38' ' ' ILE . 13.3 ptmt -81.56 -14.65 56.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 65.5 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.2 -70.58 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.473 1.108 . . . . 70.2 110.953 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -135.15 25.14 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.783 . . . . 52.52 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.6 ttpt -146.27 124.66 12.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 73.31 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -62.88 121.01 12.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 65.52 109.344 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.687 HG21 ' NH1' ' A' ' 122' ' ' ARG . 6.9 mm -82.55 -65.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 65.24 109.326 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.6 pt-20 -140.35 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 44.45 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.4 ttmt -128.99 150.59 50.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 55.41 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.9 mt -138.0 167.15 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 72.51 109.268 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.7 148.68 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.04 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -140.23 14.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 52.34 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -107.85 52.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 55.21 109.288 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.8 mt-10 -138.52 -45.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.34 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.79 -172.37 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 74.41 109.358 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.9 -4.05 11.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 53.02 109.323 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -165.29 124.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.23 111.016 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.62 -166.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 74.42 111.004 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD21 HD23 ' A' ' 13' ' ' LEU . 4.0 mp -130.21 175.87 8.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.24 109.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.2 m-85 -165.76 106.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 61.12 110.986 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.73 -99.35 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 75.44 110.991 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 61' ' ' THR . 1.2 mtm180 -158.38 -42.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 73.31 110.274 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.75 111.1 20.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 55.12 109.257 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.04 -20.9 16.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 52.24 110.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.53 ' OD2' HD23 ' A' ' 57' ' ' LEU . 7.5 t70 -58.63 -16.66 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 64.11 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.35 -46.89 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.12 109.278 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PRO . 57.3 m -91.49 166.88 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 41.44 108.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.65 -32.37 14.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 73.41 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 72.41 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.1 p -152.63 118.0 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 75.12 110.413 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 13.8 mt -67.6 -27.0 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 74.34 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 18.9 t0 63.19 60.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 70.45 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -156.84 138.69 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.15 109.571 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.22 -39.43 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 73.13 110.342 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.726 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -54.31 -54.08 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.53 109.965 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.4 m -53.41 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 71.51 108.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -133.91 169.01 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 54.33 110.023 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.5 ' HB3' HD12 ' A' ' 57' ' ' LEU . 5.2 mpt_? -40.7 -49.07 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.11 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -124.95 67.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 73.14 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -51.03 -45.54 61.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 44.13 109.571 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.92 -173.83 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 21.01 109.303 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.04 146.2 25.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 43.44 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 75' ' ' VAL . 6.6 tt -96.61 156.15 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.54 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.825 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.5 t -150.9 124.13 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 62.14 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 76.3 t80 -89.46 110.15 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.43 111.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.799 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.66 155.84 28.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 73.44 109.603 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -114.79 -43.08 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.42 109.24 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -73.7 -11.21 60.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 64.45 109.637 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.9 mt -116.3 -27.23 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 65.45 109.315 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.96 37.01 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 74.23 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.24 -164.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.41 110.287 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG11 HD11 ' A' ' 74' ' ' LEU . 56.7 t -120.14 165.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 62.02 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.3 m-85 -146.31 153.04 40.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.15 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -124.2 105.6 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 73.45 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -89.22 110.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 74.41 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.88 81.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 50.55 109.311 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 70' ' ' VAL . 18.0 mt -57.89 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 42.3 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 37.73 48.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.31 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.449 ' HG ' ' HE2' ' A' ' 71' ' ' HIS . 1.9 t -51.94 133.72 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 63.21 110.005 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.837 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.66 -47.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 71.33 110.414 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.837 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.5 m-70 -110.26 -50.83 2.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 72.44 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 142.43 175.78 15.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 63.14 111.051 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -119.57 154.64 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 74.53 110.368 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -136.93 161.48 35.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.32 110.984 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.772 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.9 tp -116.89 53.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 63.22 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.96 -65.59 1.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 54.33 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.8 p-80 -134.73 10.14 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 74.21 109.546 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 9.9 mt -120.34 161.2 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.02 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.769 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.49 147.64 46.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.22 110.264 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.82 158.25 19.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 54.22 109.313 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.87 155.49 70.43 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 74.44 110.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.96 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 72.12 111.015 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.97 -45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.41 109.6 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -72.5 126.92 90.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 74.12 109.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.22 43.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 35.42 111.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.962 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.2 tp60 -132.37 111.28 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 63.11 110.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.649 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.19 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 72.03 110.27 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -140.45 108.91 6.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 65.54 109.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.4 Cg_endo -74.96 168.05 25.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 51.23 110.991 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.46 ' C ' ' CG ' ' A' ' 112' ' ' ASP . 20.7 mm -71.04 153.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 64.13 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.46 ' CG ' ' C ' ' A' ' 111' ' ' ILE . 0.0 OUTLIER 51.51 20.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.04 109.3 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.772 ' OG ' HD11 ' A' ' 96' ' ' LEU . 14.9 t -73.68 -171.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 74.12 109.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.636 HG23 ' HB1' ' A' ' 123' ' ' ALA . 82.7 m -154.51 125.29 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 74.44 110.398 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -124.09 156.17 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 73.21 109.305 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 14.0 p -143.35 111.36 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 71.22 110.037 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.2 m-85 -68.65 170.92 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.2 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -39.92 -80.22 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 44.3 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.726 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -74.71 -70.11 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 75.34 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -32.79 97.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 65.3 110.021 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 119' ' ' ALA . 18.3 p -72.47 -3.99 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.24 110.378 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.687 ' NH1' HG21 ' A' ' 38' ' ' ILE . 23.8 mmt85 -48.49 177.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 74.32 110.304 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.636 ' HB1' HG23 ' A' ' 114' ' ' THR . . . -135.14 61.95 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 61.33 109.32 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -40.85 107.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 74.02 110.993 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 113' ' ' SER . 1.7 m -100.29 102.59 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 71.24 110.371 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' ' 29' ' ' LEU . 1.1 tm? -71.78 108.17 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 75.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.08 -174.28 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 72.43 110.27 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' PRO . 6.5 tt0 -159.48 105.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 74.13 110.301 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 16.3 mtpp -37.32 98.34 0.16 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.24 109.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.1 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 74.42 111.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.69 129.88 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.175 . . . . 64.21 110.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 60.11 110.361 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.465 0.174 . . . . 65.15 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.71 44.1 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 72.22 109.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.45 69.98 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 74.23 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.07 116.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.35 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 5' ' ' VAL . 92.3 t 63.81 42.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.43 109.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -70.54 99.39 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 64.43 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -58.96 165.15 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 61.35 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.57 63.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 62.32 111.0 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -143.55 125.73 15.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 70.05 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -109.92 20.4 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 71.42 110.028 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.997 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -169.03 157.73 7.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.42 109.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.742 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.97 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 60.01 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -111.93 -31.48 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 75.55 109.312 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.724 ' H ' HD22 ' A' ' 13' ' ' LEU . 2.4 t80 -161.38 169.35 22.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 74.32 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.596 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 3.6 t70 -134.94 120.78 19.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 51.44 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.8 p -72.83 139.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 65.44 108.288 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.1 Cg_endo -75.05 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 72.34 110.998 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.09 -4.97 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 71.23 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.3 p-90 -94.09 -4.18 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.001 -1.111 . . . . 72.4 108.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.592 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -77.72 142.97 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 74.1 109.278 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -134.83 -119.51 1.95 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 72.34 111.048 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.14 117.36 5.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 0.726 . . . . 74.53 109.308 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.596 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 144.43 30.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 65.51 111.021 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.808 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 160.43 40.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 64.34 110.982 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 71.48 4.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 75.15 111.032 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 129' ' ' LYS . . . -167.78 29.02 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 64.02 110.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.808 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mt -129.53 162.92 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 72.45 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.6 p-80 -176.08 142.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.42 109.602 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.726 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.22 171.64 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 72.03 109.331 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.726 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -159.56 161.45 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 74.41 109.299 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.643 ' O ' HD22 ' A' ' 37' ' ' LEU . 84.1 t -132.33 149.49 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 65.15 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -144.83 134.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 64.44 109.248 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.836 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.2 ptpt -75.29 -16.7 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.24 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.43 -60.46 0.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 63.14 110.976 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -135.98 19.68 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 64.23 109.287 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' C ' HG13 ' A' ' 32' ' ' VAL . 19.2 tttt -142.65 128.69 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 72.31 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -67.53 119.12 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 50.42 109.285 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.836 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.6 mm -77.9 -76.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 73.24 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD11 ' A' ' 37' ' ' LEU . 10.3 pt-20 -130.11 -174.5 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 73.24 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.9 ttmt -140.82 149.84 42.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 74.21 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -142.58 168.05 20.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 74.04 109.27 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.764 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.56 147.86 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 74.42 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.7 pp -139.25 13.86 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.5 109.315 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -107.23 52.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 54.43 109.264 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 3.2 mt-10 -137.77 -46.39 0.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 74.45 110.318 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.588 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -113.35 -171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 64.33 109.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.592 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.69 -5.17 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 74.51 109.271 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.631 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.3 124.92 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.33 111.027 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -118.9 -167.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 71.23 111.029 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.844 HD21 HD23 ' A' ' 13' ' ' LEU . 4.1 mp -130.3 177.05 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 72.03 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.1 m-85 -164.67 110.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.13 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.44 -101.53 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 75.45 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.22 -41.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 73.55 110.305 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 111.3 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 62.23 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.87 16.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 72.43 111.04 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' HD23 ' A' ' 57' ' ' LEU . 23.2 t0 -60.21 -15.68 26.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.43 109.264 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.35 -48.07 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 63.23 109.273 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' A' ' 70' ' ' VAL . 62.9 m -90.53 169.1 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 72.43 108.301 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -32.49 12.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 72.12 109.343 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.784 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -109.05 -170.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 74.2 111.057 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -152.79 121.45 6.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.02 110.426 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 31.9 mt -69.51 -31.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 75.31 109.275 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 15.4 t70 61.49 67.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 62.21 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -143.66 -161.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 64.0 109.555 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -122.69 -37.2 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 71.33 110.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.435 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 0.4 OUTLIER -77.35 -38.64 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 72.43 110.006 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.5 p -47.99 173.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 71.31 108.297 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t -133.18 161.42 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 64.25 110.006 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -36.37 -50.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.55 110.317 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.86 66.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 73.21 109.29 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 3.9 t60 -48.69 -49.89 35.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 70.13 109.6 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.0 -177.45 6.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 65.12 109.287 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -145.61 145.24 30.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 53.03 109.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.883 HD23 ' N ' ' A' ' 75' ' ' VAL . 3.6 tt -98.0 159.78 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 72.32 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.883 ' N ' HD23 ' A' ' 74' ' ' LEU . 86.0 t -152.8 128.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.11 109.275 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 76.4 t80 -94.28 113.14 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.34 110.98 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.785 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -64.76 156.67 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 71.11 109.613 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -115.01 -42.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.51 109.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.427 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.0 m-70 -75.08 -9.55 58.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.41 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 82' ' ' ARG . 50.8 mt -118.23 -28.39 5.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 70.12 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.11 35.64 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 71.05 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.35 -169.31 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 71.43 110.3 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 HD11 ' A' ' 74' ' ' LEU . 78.3 t -115.51 166.91 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 74.33 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.6 m-85 -147.24 148.91 31.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 74.11 111.045 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.869 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -121.35 107.51 12.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 65.04 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.72 107.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.1 109.298 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 5.8 t70 -71.42 97.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 74.34 109.267 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 89' ' ' ASN . 19.9 mt -72.53 81.16 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 72.32 109.349 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.71 52.65 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 74.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 13.6 t -56.16 142.27 37.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 61.44 110.03 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.804 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.6 -48.71 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 73.51 110.365 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.804 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.8 m-70 -107.93 -69.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 72.3 109.59 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 164.48 169.92 28.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 74.33 110.982 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.5 m -118.57 150.14 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 71.42 110.36 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 6.8 m-85 -134.07 167.41 20.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 73.53 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.9 tp -119.27 54.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.54 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.24 -65.44 1.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 75.32 111.036 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.65 13.5 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 71.14 109.594 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.528 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.4 mt -120.01 150.19 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 70.3 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -104.6 138.86 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 72.45 110.298 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -109.49 148.17 31.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 109.256 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 2.2 mm-40 -78.0 149.6 76.95 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 63.14 110.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.557 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -74.99 59.81 5.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 75.22 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.65 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.23 109.586 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.44 128.23 87.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 70.52 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.81 42.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 72.31 111.011 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.645 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.4 tp60 -138.13 113.47 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 63.33 110.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.97 165.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.13 110.293 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 108' ' ' GLN . 16.1 mm -142.15 110.0 5.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 73.34 109.288 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.57 26.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 64.24 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.852 HD12 ' HB2' ' A' ' 128' ' ' GLU . 28.4 mm -71.73 151.48 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 74.23 109.253 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.4 t70 53.79 19.96 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 71.45 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 96' ' ' LEU . 18.2 t -74.05 -173.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 72.4 110.001 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' LEU . 52.2 m -150.48 129.84 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 53.22 110.393 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -128.58 143.2 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 71.22 109.285 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 p -131.64 107.37 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 73.04 109.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.869 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.5 m-85 -65.66 -177.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 74.23 111.016 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -76.46 -79.69 0.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 31.52 110.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.82 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 63.14 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 m -68.84 146.69 52.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.35 110.026 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -103.94 13.36 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.14 110.384 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -51.95 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 73.33 110.28 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -137.82 55.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 74.04 109.294 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 115' ' ' VAL . 9.0 m-30 -37.14 114.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 64.55 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 m -108.31 106.9 17.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 73.34 110.387 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -77.66 108.47 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.53 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -95.9 -173.76 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.14 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.852 ' HB2' HD12 ' A' ' 111' ' ' ILE . 45.0 tt0 -155.09 106.18 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.22 110.276 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' GLU . 5.7 mtpm? -36.59 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 74.04 109.254 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 70.23 111.067 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -50.11 152.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 61.45 110.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 74.44 110.387 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.463 0.173 . . . . 73.22 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.4 169.47 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 73.04 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.75 58.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 55.43 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 92.83 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 65.21 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 t -100.11 -73.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 51.33 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 56.81 48.29 16.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 44.43 109.267 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.7 p -73.65 169.5 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 73.41 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.07 85.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 74.11 110.999 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -148.62 179.25 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 64.25 109.998 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -63.67 122.8 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 60.2 110.019 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 163.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 71.5 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 64.54 111.028 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.892 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -110.91 -27.79 8.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 61.14 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 10.3 t80 -162.41 160.15 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 71.13 111.036 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -125.71 114.71 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 63.44 109.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.1 t -69.23 136.66 89.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 71.3 108.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.0 -161.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 64.12 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -117.59 -0.15 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 73.11 110.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -97.64 -3.29 39.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 75.21 107.981 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.75 139.14 41.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 45.13 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -127.88 -114.99 1.86 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 43.12 110.986 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.81 116.71 3.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 73.33 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.99 144.18 29.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 51.02 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.86 40.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 74.31 111.065 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 71.9 4.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.488 1.783 . . . . 61.42 111.046 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.6 29.3 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 54.51 110.994 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 11.9 mt -129.52 163.79 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 61.25 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.8 p-80 -177.19 144.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 73.54 109.617 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -88.77 172.22 9.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 62.32 109.308 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.742 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.19 169.62 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 74.52 109.344 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.0 t -142.77 142.14 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 62.33 109.277 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -139.0 131.45 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.3 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.754 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -77.04 -8.44 57.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 71.32 109.29 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.17 -66.58 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 53.2 111.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -136.45 20.41 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 74.21 109.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 21.2 tttt -141.17 123.59 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 73.42 109.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.6 tm? -64.85 119.13 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.11 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 33' ' ' LYS . 26.6 mm -78.12 -72.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 45.41 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -134.38 -174.08 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.32 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.5 ttmt -139.81 153.4 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.856 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -143.75 165.25 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 60.42 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -106.22 150.18 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 75.44 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.656 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.56 15.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 74.11 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.5 p30 -107.91 51.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 45.53 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -138.11 -47.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.43 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.47 -174.24 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 73.15 109.308 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.91 -1.72 11.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.12 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 124.73 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 73.33 111.005 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.3 -167.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 71.42 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.892 HD21 HD23 ' A' ' 13' ' ' LEU . 3.4 mp -131.19 175.23 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 54.45 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 4.1 m-85 -165.87 106.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 75.13 111.012 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.41 -100.0 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 64.22 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.613 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -158.35 -42.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 74.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.25 111.48 22.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 73.43 109.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.0 -20.03 17.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 65.32 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' C ' HD23 ' A' ' 57' ' ' LEU . 31.5 t0 -60.36 -15.64 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.25 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.46 -45.72 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 72.44 109.319 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 30.8 m -95.23 165.46 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 71.21 108.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.42 -32.21 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 62.31 109.253 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.856 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.7 m-30 -106.75 -169.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.12 110.995 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -155.48 118.73 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 72.35 110.407 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 18.5 mt -67.79 -26.49 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 63.22 109.311 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 23.7 t0 63.83 56.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 61.33 109.346 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 136.8 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 75.43 109.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.46 -30.47 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.21 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.6 m -61.48 -52.1 65.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 71.23 110.055 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.43 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 70.45 108.352 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -134.77 167.94 19.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 62.34 110.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -42.8 -47.32 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 71.31 110.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.0 t -126.18 63.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 70.51 109.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.456 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 5.9 t60 -45.97 -50.73 14.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.54 109.608 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -156.85 -172.64 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 74.33 109.218 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . . . -152.54 145.15 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 60.43 109.31 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.864 HD11 HG11 ' A' ' 83' ' ' VAL . 8.7 tt -96.31 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 65.35 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.729 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.7 t -150.59 119.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 62.41 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 67.5 t80 -85.18 108.9 17.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 64.35 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.801 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -62.34 153.79 29.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 72.44 109.632 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.3 ptmt -113.17 -42.89 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 74.15 109.265 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.7 m-70 -73.03 -12.3 60.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 71.32 109.596 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -115.45 -27.92 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 62.23 109.266 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 69.11 36.37 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 71.44 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.84 -165.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 64.25 110.294 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.55 165.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 61.53 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.4 m-85 -146.21 155.05 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 60.03 111.035 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.86 107.52 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.41 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.51 109.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 74.14 109.266 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.713 ' OD2' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -73.37 78.62 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.22 109.304 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.605 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -55.03 84.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 72.1 109.305 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.81 49.23 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 70.31 109.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.5 t -51.65 131.38 29.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 73.33 109.995 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.818 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.86 -42.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 51.21 110.423 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.818 ' CD2' HG23 ' A' ' 91' ' ' THR . 3.8 m-70 -112.63 -65.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 64.53 109.618 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 157.47 167.94 19.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 73.22 110.97 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.445 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.5 m -115.07 153.23 31.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.31 110.408 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.5 m-85 -137.19 161.35 36.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 50.03 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 109' ' ' ILE . 6.0 tp -118.35 54.14 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 73.3 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 96.53 -66.9 0.98 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 61.11 111.032 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.4 p-80 -135.02 10.55 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 0.785 . . . . 75.14 109.554 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.599 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -119.25 160.27 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 75.02 109.327 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.777 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.77 147.34 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 73.51 110.283 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.5 162.16 15.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 75.44 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.52 156.67 53.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.21 110.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.619 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.94 55.27 3.86 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 73.53 110.977 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.85 -45.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 75.04 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.17 125.53 91.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 63.34 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.11 42.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 72.31 111.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.924 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -132.14 111.58 11.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 70.22 110.349 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.651 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.2 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.35 110.313 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.9 mm -140.18 110.46 7.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 73.01 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.99 166.63 28.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 74.43 110.997 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 126' ' ' LEU . 31.5 mm -73.32 152.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 62.42 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.68 20.01 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 73.3 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.603 ' OG ' HD11 ' A' ' 96' ' ' LEU . 39.2 t -76.85 -167.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 64.23 110.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.718 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 78.4 m -157.16 125.54 5.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 63.35 110.361 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 HG21 HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -124.3 150.85 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 71.32 109.339 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.8 p -137.24 110.67 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.14 109.972 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.895 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -66.73 172.99 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.11 110.993 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -43.33 -81.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 64.02 111.001 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -72.96 -70.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 72.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.0 OUTLIER -35.99 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 75.41 110.04 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 119' ' ' ALA . 22.0 p -70.45 -5.08 26.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 64.3 110.389 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.418 ' HB3' HG13 ' A' ' 31' ' ' VAL . 53.2 mmt-85 -44.19 168.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.44 110.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.718 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -129.14 59.16 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 74.52 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.3 m-30 -36.53 101.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 54.45 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 m -95.46 91.31 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 74.22 110.381 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -63.91 108.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 70.44 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.71 -173.28 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 52.11 110.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.4 tt0 -157.82 106.31 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.01 110.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' GLU . 33.5 mtpt -36.1 97.59 0.13 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 65.54 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.03 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 75.3 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.74 145.94 47.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.11 110.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 73.33 110.404 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 63.44 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.62 169.84 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.24 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.78 160.45 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 64.33 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.45 82.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 71.21 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.63 144.43 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.14 109.32 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -100.79 -66.88 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 75.32 109.27 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -119.0 -67.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 73.04 109.979 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.41 123.88 4.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 71.41 111.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -106.08 65.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 72.11 110.021 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -165.71 151.63 9.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.05 109.983 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.046 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.15 156.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 71.23 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.712 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -160.34 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 60.32 111.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -111.7 -16.19 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 74.3 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 9.8 t80 -171.43 158.52 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.43 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 t70 -124.42 110.51 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 54.34 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 11.9 p -66.91 137.03 94.58 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 52.13 108.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.707 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 74.45 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -118.26 -0.98 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.4 110.382 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.714 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -95.89 -4.15 44.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 72.24 108.039 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.845 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -74.21 129.18 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 71.45 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -130.76 136.05 8.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 51.02 111.008 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.58 116.52 2.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 73.42 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.03 153.5 41.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.544 1.813 . . . . 72.22 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -75.01 155.85 42.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 75.24 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.53 4.26 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.482 1.78 . . . . 52.13 111.039 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' HZ3' ' A' ' 129' ' ' LYS . . . -170.31 30.63 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 62.23 111.033 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.5 mt -130.12 163.34 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 54.04 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.2 p-80 -176.23 145.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 73.34 109.599 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.4 mt -88.52 -176.86 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 62.34 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.11 165.24 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 72.11 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.661 ' O ' HD22 ' A' ' 37' ' ' LEU . 67.5 t -136.68 142.15 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.1 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG22 HD22 ' A' ' 37' ' ' LEU . 1.6 t -141.33 124.73 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 71.32 109.338 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' HD11 ' A' ' 38' ' ' ILE . 14.3 ptmt -72.7 -6.71 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 72.43 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.17 -69.6 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 71.51 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.29 19.41 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 71.25 109.319 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.97 121.11 15.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.32 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.2 tm? -61.58 119.44 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 72.01 109.334 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 37' ' ' LEU . 7.4 mm -82.19 -67.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 72.2 109.252 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.576 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.6 pt-20 -136.51 -179.81 5.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.35 110.271 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.641 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.6 ttmt -135.19 152.3 51.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 61.04 109.237 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 60' ' ' PHE . 7.9 mt -141.13 167.35 22.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 71.03 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.74 147.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 63.24 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.5 pp -139.95 14.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 55.42 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -107.79 55.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 64.43 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.3 mt-10 -141.1 -46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.03 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.15 -174.27 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 64.14 109.337 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.845 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.19 -3.91 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.41 109.308 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.75 126.43 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 71.44 111.051 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.07 -167.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 73.35 110.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 13' ' ' LEU . 3.5 mp -131.76 173.77 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.33 109.345 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.1 m-85 -164.51 108.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 74.51 110.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.54 -101.12 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 64.15 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -157.16 -42.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 74.42 110.289 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.96 111.6 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 72.12 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.45 16.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 63.24 110.983 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.1 t0 -59.17 -16.58 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 74.42 109.323 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.96 -47.0 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 74.22 109.284 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.4 m -92.57 165.04 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.21 108.309 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.21 -31.57 14.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 64.43 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.841 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.66 -169.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 75.54 111.008 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.19 121.03 5.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.34 110.409 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.6 mt -69.31 -31.66 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 74.55 109.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.31 69.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 54.15 109.292 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.08 -161.8 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 74.3 109.589 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -121.66 -37.18 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 60.24 110.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB3' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -78.01 -40.71 38.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 63.32 109.984 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.0 p -45.94 167.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 53.1 108.275 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ARG . 58.4 m -127.65 162.0 27.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 74.45 110.051 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.3 -49.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 75.31 110.297 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.657 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.0 t -127.78 65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 64.11 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.5 t60 -45.67 -47.79 15.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 63.25 109.618 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.76 -172.48 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.31 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.84 146.53 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 73.43 109.318 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.831 HD11 HG11 ' A' ' 83' ' ' VAL . 7.1 tt -97.76 154.96 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 71.42 109.308 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.802 ' N ' HD23 ' A' ' 74' ' ' LEU . 97.2 t -150.04 119.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 64.22 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 27' ' ' LEU . 43.1 t80 -84.69 104.88 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 72.04 111.001 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.714 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -56.94 152.25 13.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 74.03 109.631 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' TRP . 8.2 ptmt -111.73 -43.77 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 61.34 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.2 m-70 -71.25 -14.17 62.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.42 109.573 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 62.0 mt -113.85 -27.28 7.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.11 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 68.8 36.23 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 52.23 109.361 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -131.28 -166.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.11 110.268 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG11 HD11 ' A' ' 74' ' ' LEU . 89.2 t -118.55 162.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 75.4 109.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 22.0 m-85 -144.83 157.85 44.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 73.51 111.002 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.902 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -129.7 110.59 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 74.34 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -95.76 107.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 75.34 109.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.734 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -68.04 76.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 70.21 109.303 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.527 HD12 HG12 ' A' ' 70' ' ' VAL . 18.4 mt -49.94 84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.33 109.251 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 35.03 49.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 43.35 109.31 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.1 t -54.77 134.08 47.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.41 109.955 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.856 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.8 -42.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 61.21 110.403 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.856 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.6 m-70 -114.0 -53.2 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.23 109.604 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.67 -178.74 21.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 52.12 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.8 m -124.95 156.63 37.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 75.35 110.362 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.1 m-85 -136.44 160.11 39.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 63.5 111.037 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.8 tp -108.48 45.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 74.33 109.291 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.97 -55.54 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 70.44 111.03 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HG13 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -136.39 9.47 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 73.42 109.612 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 98' ' ' HIS . 15.2 mt -126.66 163.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 72.11 109.307 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.758 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.56 148.85 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.33 110.334 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.5 158.81 21.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.3 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.85 154.88 64.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 64.12 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.614 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.73 4.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 63.32 111.028 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 164.17 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.53 109.58 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -74.41 125.68 89.59 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 60.24 109.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.02 37.47 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 65.43 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.78 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.9 tp60 -127.91 111.62 13.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.22 110.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.676 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.22 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 71.21 110.32 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.7 mm -139.09 109.57 7.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 54.34 109.341 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.1 Cg_endo -75.02 161.67 38.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 71.34 111.028 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 128' ' ' GLU . 27.0 mm -68.69 147.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 64.13 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.2 t70 59.56 15.91 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 54.12 109.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.632 ' OG ' HD11 ' A' ' 96' ' ' LEU . 42.0 t -74.59 -167.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.13 109.977 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 96' ' ' LEU . 68.4 m -155.87 137.08 13.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 73.1 110.406 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -131.23 148.82 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 74.31 109.29 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -137.49 110.42 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 65.13 109.969 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.902 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -71.33 170.48 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.24 110.966 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.99 -77.48 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 34.34 110.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.487 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -44.72 -84.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 61.11 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 p -59.88 142.99 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 73.45 110.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.0 p -102.43 11.13 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 73.12 110.413 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 42.2 mmt-85 -49.52 179.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.5 110.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.514 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -136.53 59.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 73.31 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.543 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.5 m-30 -43.17 112.02 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 74.33 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -102.43 105.19 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 72.21 110.408 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.4 tm? -71.76 108.9 5.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 72.03 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -97.69 -174.89 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 71.2 110.346 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.744 ' HG3' HD23 ' A' ' 27' ' ' LEU . 34.5 tt0 -157.58 106.81 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.42 110.262 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.611 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.5 mtpm? -37.36 98.3 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 70.24 109.277 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 74.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.04 136.02 52.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 64.14 110.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 71.11 110.34 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.466 0.175 . . . . 73.1 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.67 134.32 34.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 52.13 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.27 88.66 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.21 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.69 79.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.02 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.4 p -128.84 152.53 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 72.52 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -139.46 132.06 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.12 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.8 t -62.32 -74.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 71.11 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -120.06 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 71.43 111.001 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -66.83 -175.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 63.51 110.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -111.89 19.37 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 51.33 109.968 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.9 mm? -96.25 158.39 34.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 70.01 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 74.23 111.015 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.7 -32.24 6.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.35 109.329 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.731 ' H ' HD22 ' A' ' 13' ' ' LEU . 2.5 t80 -166.5 161.58 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 71.32 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 11.6 t70 -130.08 117.99 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 63.4 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -67.55 141.94 95.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.43 108.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.624 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.95 -161.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 71.2 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -112.9 -4.34 13.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 63.12 110.365 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.766 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.7 p-90 -94.35 -3.75 49.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.2 108.064 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.58 144.01 37.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 61.52 109.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.95 -121.29 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 63.24 110.987 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.29 118.91 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 71.44 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.0 144.95 30.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.428 1.751 . . . . 55.21 111.027 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.98 160.96 39.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 72.42 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.78 5.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 55.44 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.77 31.01 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 75.1 111.033 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 128' ' ' GLU . 51.4 mt -128.87 160.38 32.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 72.04 109.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 26.6 p-80 -175.59 145.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 60.54 109.583 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.6 mt -90.1 -177.38 5.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 64.23 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.642 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -165.15 166.48 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 64.41 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.623 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.4 t -137.31 147.04 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 72.15 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -143.87 131.27 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 74.22 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.781 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.92 -15.82 61.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 74.33 109.28 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.63 -59.65 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 71.04 110.97 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.55 20.22 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 72.23 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.3 ttpt -143.41 129.1 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 71.11 109.264 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.3 tm? -68.2 118.66 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 70.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 33' ' ' LYS . 34.5 mm -78.81 -75.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.12 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.587 ' OE2' HD21 ' A' ' 41' ' ' LEU . 20.6 pt-20 -130.84 -175.9 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 64.15 110.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -138.97 147.83 42.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.22 109.341 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.893 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.43 167.75 21.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 52.21 109.319 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.68 151.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 74.32 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.772 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.1 pt -140.72 14.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.33 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 p30 -112.36 49.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.51 109.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -136.25 -46.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 54.43 110.266 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.63 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -116.84 -173.72 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 72.44 109.278 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.25 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 72.15 109.327 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.36 125.16 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 63.41 111.042 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.15 -169.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 75.22 110.997 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mp -130.34 176.45 8.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 55.14 109.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -165.26 111.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 64.54 111.003 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 69' ' ' ARG . . . -166.08 -104.03 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 61.52 110.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 61' ' ' THR . 3.3 mtm180 -154.78 -43.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 65.22 110.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.4 112.03 25.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 71.3 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.0 -20.4 16.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.43 110.966 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.3 t0 -60.73 -15.43 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 73.11 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.56 -47.8 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 74.15 109.32 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.2 m -93.82 165.41 12.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 61.13 108.274 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.22 -30.61 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.05 109.303 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.893 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.6 m-30 -106.35 -169.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 74.11 110.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.5 p -156.55 117.05 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 63.02 110.383 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 67' ' ' CYS . 19.1 mt -67.1 -28.55 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 61.29 54.91 3.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.25 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 65' ' ' GLN . 3.9 t-80 -131.35 -172.4 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 75.12 109.563 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 7.4 pt20 -118.94 -32.35 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 74.42 110.319 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.806 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 58.3 m -76.82 -41.62 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.05 109.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.837 ' SG ' ' HB3' ' A' ' 119' ' ' ALA . 75.1 m -53.0 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 71.33 108.314 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -134.93 171.83 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 71.41 109.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.7 mpt_? -45.66 -47.89 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 71.44 110.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.9 t -126.13 60.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.34 109.282 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.591 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 4.6 t60 -40.91 -56.09 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.03 109.61 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -153.59 -172.01 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 63.34 109.265 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -151.99 144.83 24.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 71.42 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.916 HD11 HG11 ' A' ' 83' ' ' VAL . 9.7 tt -95.16 157.56 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 74.4 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.624 HG11 ' CG ' ' A' ' 17' ' ' PRO . 87.9 t -153.02 123.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 63.52 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 59.0 t80 -88.63 112.83 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 73.01 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.766 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -66.05 153.95 40.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.2 109.609 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -112.9 -42.82 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.4 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.435 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 10.6 m-70 -73.11 -11.66 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 74.43 109.565 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.3 mt -116.52 -28.09 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.31 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 69.09 36.82 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 75.11 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.51 -166.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 71.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.916 HG11 HD11 ' A' ' 74' ' ' LEU . 63.2 t -117.42 165.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 61.13 109.353 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 15.7 m-85 -146.09 155.61 42.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 72.14 111.036 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.786 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.64 107.76 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 71.35 109.319 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.76 107.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 72.11 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.811 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -69.7 82.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 65.21 109.301 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 70' ' ' VAL . 18.6 mt -57.22 83.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 73.04 109.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER 35.05 51.33 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 61.21 109.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -55.16 133.05 48.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 65.44 109.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.922 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.13 -42.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 63.13 110.438 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.922 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.1 m-70 -114.89 -62.34 1.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.23 109.585 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 154.88 173.23 23.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 73.12 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 m -118.26 155.37 30.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 63.22 110.419 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -136.9 160.92 37.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.14 111.017 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD11 ' OG ' ' A' ' 113' ' ' SER . 16.3 tp -118.48 61.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 42.35 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.48 -66.7 2.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 75.13 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.5 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.1 p-80 -136.52 11.59 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 74.2 109.583 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 12.9 mt -119.36 161.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.42 109.287 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.749 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.92 147.67 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 73.51 110.325 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.865 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.35 159.34 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 72.01 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.99 156.73 60.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 73.14 110.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 57.17 4.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 52.12 110.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.1 m-70 164.14 -44.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 72.12 109.58 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -72.76 125.9 90.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 71.52 109.307 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 153.9 41.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.452 1.764 . . . . 75.42 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.865 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.3 tp60 -131.03 111.6 12.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 74.41 110.283 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.68 163.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 62.23 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.4 mm -139.82 108.89 7.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.41 109.346 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.94 161.45 38.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.804 . . . . 71.14 111.01 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 126' ' ' LEU . 28.8 mm -67.94 146.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 72.51 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.57 14.36 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 72.35 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.814 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.4 t -71.28 -171.15 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.14 109.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.538 ' O ' HD12 ' A' ' 96' ' ' LEU . 53.9 m -154.51 126.67 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.14 110.429 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.32 150.55 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 61.21 109.321 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 50.2 p -142.11 112.84 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 73.51 109.983 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.786 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -70.92 156.89 39.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 74.31 110.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -59.27 -69.28 1.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 71.45 111.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.837 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . . . -45.13 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 65.45 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 p -58.41 179.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 73.43 110.017 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -137.45 29.16 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 70.12 110.377 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.9 mmt-85 -75.31 -179.83 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.13 110.292 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.538 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.73 61.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 70.24 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' HB2' HG22 ' A' ' 115' ' ' VAL . 12.1 m-30 -47.02 113.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.02 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -104.66 98.6 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 65.42 110.406 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER -68.07 110.49 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 72.02 109.274 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.59 -172.32 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.24 110.296 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.543 ' HG3' HD23 ' A' ' 27' ' ' LEU . 20.4 tt0 -157.52 106.71 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 52.21 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.628 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.7 mtpm? -37.49 98.39 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 63.34 109.277 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.96 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 64.41 111.013 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -59.08 153.41 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 55.21 110.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 72.1 110.406 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtm . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.568 0.223 . . . . 74.34 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.54 102.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 71.3 109.299 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 127.67 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 71.1 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.92 41.65 2.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.3 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -129.17 -67.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 72.31 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -141.01 121.89 14.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 73.43 109.301 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.4 p -53.91 116.74 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 72.4 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.27 118.47 1.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 63.22 110.999 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 p -113.87 50.71 0.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 55.34 109.995 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -147.62 -175.19 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.53 109.966 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.68 156.79 0.49 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 74.21 109.321 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.72 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.94 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 52.42 111.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.834 ' O ' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -110.8 -26.42 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.42 109.309 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 11.5 t80 -164.14 167.57 20.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 72.31 111.006 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.3 t0 -133.5 115.87 15.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.02 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 8.8 t -71.01 136.39 84.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 62.12 108.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.71 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.93 -161.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 73.33 111.018 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -117.74 0.87 12.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.5 110.43 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.803 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 65.43 108.01 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -75.77 138.48 41.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 73.54 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -126.83 -114.6 1.9 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 73.24 110.973 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.73 116.78 3.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 74.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 145.06 31.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 63.23 110.979 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.96 159.19 41.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 70.35 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 71.85 4.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 73.23 111.017 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -170.62 30.87 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 34.4 110.992 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 24' ' ' PRO . 16.1 mt -129.55 162.07 29.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 65.2 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 29.1 p-80 -176.05 146.3 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.02 109.614 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -88.35 -174.71 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 72.14 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.695 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 m-20 -165.8 169.33 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 71.53 109.312 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' O ' HD22 ' A' ' 37' ' ' LEU . 85.7 t -144.97 143.96 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 71.42 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.539 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.5 t -143.26 137.02 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 42.31 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.9 ptmm? -81.81 -12.32 58.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 62.35 109.33 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.25 -67.22 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 64.11 111.006 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -135.87 19.27 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.41 109.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.8 tttp -139.27 123.04 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 71.12 109.323 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -63.93 118.62 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 64.03 109.333 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 33' ' ' LYS . 24.6 mm -77.51 -70.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 73.44 109.272 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.742 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.9 pt-20 -135.34 -174.66 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 71.25 110.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' HD23 ' A' ' 41' ' ' LEU . 13.5 ttmt -139.42 151.1 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 72.3 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.833 HD13 ' CE2' ' A' ' 60' ' ' PHE . 5.5 mt -139.73 167.21 22.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 72.2 109.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.18 147.83 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 71.24 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.6 pp -139.06 13.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 53.15 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -107.27 55.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.43 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' HG22 ' A' ' 42' ' ' ILE . 2.1 mt-10 -141.79 -47.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 43.32 110.341 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.83 -172.68 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.41 109.297 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -118.99 -1.98 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 62.11 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.78 125.3 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 75.35 111.025 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.706 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -121.93 -166.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.25 111.024 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 13' ' ' LEU . 2.8 mp -131.48 171.99 12.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 64.31 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.6 m-85 -161.8 107.56 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.54 110.967 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 53' ' ' ARG . . . -159.96 -100.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 53.4 110.991 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.726 HH21 HH11 ' A' ' 69' ' ' ARG . 0.7 OUTLIER -157.75 -42.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 71.32 110.291 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.48 111.46 22.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 64.24 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.02 -20.37 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 44.14 110.994 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.3 t0 -60.7 -15.91 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 74.43 109.302 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.44 -46.37 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 70.54 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 50' ' ' LEU . 57.2 m -92.43 167.07 12.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 73.52 108.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -32.73 13.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 72.02 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.833 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.1 m-30 -108.33 -169.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 73.45 111.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.6 p -152.39 121.86 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 70.14 110.37 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 71' ' ' HIS . 34.6 mt -70.91 -30.0 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.4 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 62.85 72.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.44 109.281 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 2.1 t60 -161.57 166.23 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 71.52 109.586 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.59 -35.35 13.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 64.31 110.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.548 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 3.2 m -67.59 -47.27 70.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.13 109.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.52 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 27.6 p -49.66 176.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 45.14 108.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 t -134.92 164.56 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 60.51 109.993 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.726 HH11 HH21 ' A' ' 53' ' ' ARG . 1.0 OUTLIER -37.42 -51.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 71.53 110.296 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.834 HG11 ' O ' ' A' ' 13' ' ' LEU . 1.9 t -125.8 68.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 74.44 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.3 t60 -51.08 -46.47 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 71.14 109.618 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.56 -173.4 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 74.45 109.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -150.97 151.86 32.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 73.22 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.85 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 tt -101.52 156.0 17.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 73.14 109.254 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.831 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.14 121.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.42 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 23' ' ' PRO . 73.2 t80 -87.55 109.35 19.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.52 110.98 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.803 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.05 152.83 35.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.34 109.567 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.6 ptmt -112.34 -42.95 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 72.45 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.9 m-70 -72.77 -12.95 61.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.21 109.584 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 68.5 mt -114.78 -26.99 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 74.41 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 68.12 36.64 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.35 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -132.27 -166.35 1.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 74.44 110.257 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.85 HG11 HD11 ' A' ' 74' ' ' LEU . 55.7 t -118.54 166.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.32 109.317 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 17.0 m-85 -147.07 154.94 41.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.04 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.3 104.86 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 72.33 109.319 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.91 110.12 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 64.14 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -73.41 85.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.23 109.268 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 70' ' ' VAL . 18.1 mt -61.86 81.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 72.03 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' ND2' ' A' ' 89' ' ' ASN . 0.0 OUTLIER 38.3 50.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 45.14 109.283 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -53.09 137.41 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 52.25 109.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.863 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.58 -48.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 73.33 110.409 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.863 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.4 OUTLIER -111.35 -50.36 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 75.35 109.635 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.1 174.33 16.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 62.11 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.1 m -117.35 155.66 29.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 63.22 110.42 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.9 m-85 -137.0 163.96 29.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 74.5 110.991 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.7 tp -121.02 55.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 52.14 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 94.68 -66.67 1.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 52.5 111.024 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.9 p-80 -135.56 10.93 3.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 74.22 109.59 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 14.5 mt -120.19 160.27 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 61.04 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.2 146.87 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 71.44 110.291 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.96 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.16 158.56 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.13 109.312 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.32 155.86 69.1 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 52.33 110.286 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.02 52.99 3.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 62.52 110.997 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 169.24 -45.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 74.21 109.587 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -72.47 126.48 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 62.21 109.347 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 155.59 43.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 73.53 111.054 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.96 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -132.77 111.95 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 71.23 110.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.742 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -43.17 164.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 61.54 110.289 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 108' ' ' GLN . 11.1 mm -141.44 108.73 6.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 34.4 109.311 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 126' ' ' LEU . 18.3 Cg_endo -74.97 165.87 30.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 51.32 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.497 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.9 mm -70.71 150.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 73.1 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.7 t70 55.82 18.53 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 71.13 109.326 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 16.1 t -73.74 -173.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 71.2 109.978 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.489 ' N ' ' OG ' ' A' ' 113' ' ' SER . 93.4 m -152.59 126.59 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 73.51 110.423 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.558 HG23 ' N ' ' A' ' 116' ' ' SER . 1.4 m -121.91 169.3 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 53.42 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 115' ' ' VAL . 40.3 p -156.67 111.94 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 72.12 109.986 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.889 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -74.81 155.37 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 61.43 111.01 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -53.74 -76.79 0.17 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.159 . . . . 65.23 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.548 ' HB1' ' CB ' ' A' ' 66' ' ' SER . . . -38.54 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 73.14 109.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 117' ' ' PHE . 2.0 m -60.92 176.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 72.53 109.986 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.6 p -134.72 8.37 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.23 110.391 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.16 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 70.15 110.301 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.26 63.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 44.04 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.4 m-30 -46.6 110.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 70.45 110.98 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' NE ' ' A' ' 127' ' ' ARG . 2.7 m -104.27 98.48 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 75.51 110.413 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.1 tm? -67.01 108.53 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 71.34 109.333 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.55 ' NE ' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -99.14 -171.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.4 110.278 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' PRO . 15.1 tt0 -162.35 111.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 71.43 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.3 mttm -37.11 98.12 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 75.31 109.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.93 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 72.4 111.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -48.58 144.14 4.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 64.01 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 61.52 110.432 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.54 0.209 . . . . 41.41 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.11 133.21 3.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 54.23 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.51 6.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 72.5 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.42 94.15 3.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 64.52 109.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -128.56 140.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 40.44 109.281 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -130.84 101.93 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 70.05 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -143.09 131.69 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 54.4 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.1 -84.61 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 70.43 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.33 9.44 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 0.765 . . . . 72.21 109.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m -102.11 119.6 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 73.33 110.015 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 56.9 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 74.13 109.297 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 63.23 111.048 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.14 -29.09 8.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 44.21 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.52 155.62 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.04 111.06 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -123.03 113.9 19.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 24.12 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.1 p -64.64 142.42 98.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.23 108.259 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.676 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.01 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 74.03 111.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -116.36 -3.24 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 72.24 110.392 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.612 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -93.85 -3.6 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.101 . . . . 75.2 108.026 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.735 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -73.85 132.13 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 40.44 109.278 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 78' ' ' LYS . . . -135.55 134.68 7.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 74.22 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.7 117.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.749 . . . . 74.53 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 153.8 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 72.1 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.743 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.03 155.54 42.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 62.55 111.015 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.46 4.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.556 1.819 . . . . 74.21 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.98 30.29 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 45.41 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD11 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mt -130.42 164.49 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 71.52 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 37.5 p-80 -177.03 142.6 0.38 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 73.23 109.551 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -85.78 172.48 10.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 75.42 109.306 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.816 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -158.03 166.36 32.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 70.53 109.304 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.756 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.2 t -136.54 148.25 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 63.15 109.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG13 ' C ' ' A' ' 36' ' ' LYS . 2.1 t -143.53 131.85 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 65.02 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.705 ' HB3' HD11 ' A' ' 38' ' ' ILE . 18.6 ptmt -82.26 0.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 74.3 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.94 -70.2 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.147 . . . . 40.13 111.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -134.92 20.73 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 73.11 109.295 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' HG13 ' A' ' 32' ' ' VAL . 23.2 tttt -140.49 126.75 19.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.41 109.277 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -65.78 118.9 10.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 65.41 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.9 mm -78.49 -76.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 64.22 109.277 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.6 pt-20 -127.21 -175.31 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 70.54 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -140.96 149.65 42.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 71.24 109.33 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.877 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -141.6 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 72.23 109.358 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -106.3 149.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 51.03 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -141.17 15.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 71.32 109.293 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD2' ' CG2' ' A' ' 42' ' ' ILE . 32.5 p-10 -108.36 53.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 72.51 109.323 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.9 mt-10 -140.25 -47.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.12 110.281 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.18 -175.18 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 73.32 109.312 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.735 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.54 -0.21 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.21 109.308 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.8 125.08 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.55 111.043 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.95 -168.82 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 63.44 110.989 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 13' ' ' LEU . 3.0 mp -130.96 175.79 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.43 109.348 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.6 m-85 -164.83 109.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.22 110.998 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.55 -101.89 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 43.45 110.963 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.888 HH21 HH11 ' A' ' 69' ' ' ARG . 1.8 mtm180 -156.93 -42.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 62.01 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.52 111.56 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.4 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.04 -20.2 17.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 61.22 110.988 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' HD23 ' A' ' 57' ' ' LEU . 17.1 t0 -60.81 -15.0 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 74.2 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -123.66 -46.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 71.05 109.251 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.8 m -94.49 165.26 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 73.02 108.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.56 -31.44 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 63.41 109.284 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.877 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -106.97 -169.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 74.33 111.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -155.95 118.27 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 62.34 110.397 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.3 -32.85 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 63.22 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t70 70.07 55.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 61.33 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.669 ' CD2' ' HB1' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -151.91 132.28 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 72.2 109.608 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.38 -26.69 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 54.03 110.305 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 13.8 t -65.23 -51.31 61.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 44.12 110.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.2 m -55.75 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 62.32 108.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -134.51 166.68 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 64.54 110.031 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.888 HH11 HH21 ' A' ' 53' ' ' ARG . 2.1 mpt_? -42.06 -46.77 4.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 74.21 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.8 t -126.38 61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 44.13 109.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 6.9 t60 -43.5 -49.55 7.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 65.33 109.59 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -160.95 -176.09 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.52 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -148.82 146.26 27.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 61.32 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 83' ' ' VAL . 5.3 tt -98.72 155.1 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 75.13 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.745 ' N ' HD23 ' A' ' 74' ' ' LEU . 91.6 t -148.55 125.24 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 65.32 109.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.678 ' CE1' HD13 ' A' ' 27' ' ' LEU . 44.3 t80 -89.89 106.94 18.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.32 110.951 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.612 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.27 151.97 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.51 109.596 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 9.4 ptmt -111.63 -43.81 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 74.14 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.459 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.9 m-70 -71.17 -14.55 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 65.12 109.571 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 55.1 mt -113.31 -29.16 7.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.34 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt 71.27 34.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 73.22 109.319 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.9 -169.27 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.52 110.336 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 74' ' ' LEU . 64.1 t -114.65 162.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 65.53 109.322 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.4 m-85 -145.85 152.57 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.21 110.991 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.805 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -123.65 108.76 12.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 74.2 109.267 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.73 109.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 74.13 109.283 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 12.2 t70 -71.22 91.87 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 64.2 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 70' ' ' VAL . 18.2 mt -67.01 80.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 71.35 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.41 52.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.21 109.263 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.553 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 7.6 t -55.26 136.65 48.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 55.11 110.009 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.908 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -36.73 -47.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 70.23 110.436 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.908 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -104.02 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 73.31 109.565 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 166.5 163.58 20.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 44.41 111.007 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 76.8 m -115.36 150.11 36.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 54.33 110.36 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 7.7 m-85 -136.8 167.08 22.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 75.21 110.991 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -118.14 58.62 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 41.52 109.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.26 -64.54 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 71.33 110.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.9 p-80 -140.8 15.65 2.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 74.4 109.541 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.567 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 26.6 mt -121.13 148.72 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.11 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -102.2 142.2 33.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 110.254 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -113.24 148.61 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 71.51 109.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.7 mm-40 -78.37 148.92 74.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.565 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.5 Cg_endo -74.98 56.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 72.02 111.067 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.2 m-70 166.63 -38.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.23 109.598 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -81.17 128.26 71.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 74.12 109.285 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.527 1.803 . . . . 65.11 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.602 ' HG2' HD22 ' A' ' 101' ' ' LEU . 24.4 tp60 -141.48 112.9 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.4 110.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.586 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.45 164.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 63.11 110.291 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 108' ' ' GLN . 7.5 mm -139.84 109.84 7.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 73.13 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.3 Cg_endo -75.0 160.64 39.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 75.14 111.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.7 mm -67.48 151.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 75.35 109.272 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.23 20.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 75.02 109.296 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.5 t -75.96 -169.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 55.3 109.961 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.663 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.9 m -153.22 123.87 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.33 110.379 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -123.18 144.68 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 75.32 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.1 p -134.17 111.79 10.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 62.2 110.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.805 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -66.69 -171.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 72.21 110.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -61.61 -74.24 0.41 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 54.41 111.008 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.669 ' HB1' ' CD2' ' A' ' 64' ' ' HIS . . . -76.4 -74.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 60.43 109.296 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -33.28 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 40.53 110.039 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 10.6 p -68.88 -7.66 36.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 75.13 110.412 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' HB3' HG13 ' A' ' 31' ' ' VAL . 15.0 mmt180 -45.79 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 71.32 110.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.663 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -133.68 62.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 34.42 109.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -36.1 111.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 64.24 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.9 m -103.12 90.52 3.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 70.14 110.433 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -62.76 108.35 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.15 109.292 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.81 -174.11 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 71.11 110.248 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.575 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.0 tt0 -156.81 104.91 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 52.1 110.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 128' ' ' GLU . 64.4 mttt -36.67 97.79 0.14 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 60.25 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 73.2 111.053 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -54.57 151.66 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 70.45 110.28 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 60.23 110.381 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 74.11 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.46 161.94 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 75.21 109.306 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.41 -177.36 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 51.42 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.34 108.81 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 71.31 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.82 -177.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 70.11 109.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -137.62 157.08 47.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 70.41 109.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -112.08 173.83 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 72.15 110.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.02 150.16 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 64.01 110.975 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 p -91.9 102.77 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 75.21 109.945 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LEU . 3.8 t -165.06 -179.99 6.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 42.52 110.001 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.0 mm? -40.73 155.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 75.25 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.774 . . . . 63.24 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.813 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.62 -28.43 8.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 61.53 109.286 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.693 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.6 t80 -169.88 156.75 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 63.51 111.011 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -126.09 115.8 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 75.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 13.4 p -62.0 143.22 94.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 32.32 108.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -75.01 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 74.34 111.022 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -112.19 -5.17 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 71.14 110.401 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.772 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -93.76 -4.07 51.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.31 108.028 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -78.54 143.81 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 65.33 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' LYS . . . -132.14 -119.2 2.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 74.34 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.58 118.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 75.04 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 144.5 30.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.81 . . . . 73.44 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 160.27 40.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 71.51 110.99 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 71.87 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.545 1.813 . . . . 70.41 111.029 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.35 31.26 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 55.24 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD11 ' HD2' ' A' ' 24' ' ' PRO . 19.7 mt -130.47 163.26 27.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 51.41 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 32.0 p-80 -176.13 146.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 75.1 109.601 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.4 tp -91.22 178.2 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.45 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.678 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.9 m-20 -161.11 167.2 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 65.23 109.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HD22 ' A' ' 37' ' ' LEU . 94.0 t -138.14 142.87 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 71.4 109.356 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -139.77 128.66 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 31.31 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.31 -15.68 62.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 74.54 109.311 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.18 -61.13 0.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 44.14 110.984 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -136.54 19.89 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 70.42 109.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.4 tttt -143.05 129.31 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 74.53 109.274 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.9 tm? -69.35 118.85 12.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 73.13 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.825 HG21 HH12 ' A' ' 122' ' ' ARG . 29.3 mm -78.74 -75.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 75.24 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HD21 ' A' ' 41' ' ' LEU . 16.8 pt-20 -130.97 -174.34 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.42 110.291 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -139.83 146.31 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 73.32 109.245 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.864 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.1 mt -136.13 168.63 19.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.31 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.67 149.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.03 109.249 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -141.05 14.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 54.22 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -109.26 53.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.51 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.8 mt-10 -139.83 -46.4 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 72.43 110.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.602 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.7 -173.98 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 51.23 109.302 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.52 -3.78 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 72.21 109.252 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.693 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -163.16 125.32 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 64.31 111.008 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.602 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.95 -167.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 73.41 111.002 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 HG13 ' A' ' 70' ' ' VAL . 2.9 mp -131.48 176.02 8.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 63.22 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.6 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.7 m-85 -166.15 109.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 73.41 110.992 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.428 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.48 -99.86 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 72.33 110.957 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.604 ' O ' HG22 ' A' ' 61' ' ' THR . 1.0 OUTLIER -158.61 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 74.44 110.307 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 111.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.4 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.02 -20.69 16.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 74.15 111.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' C ' HD23 ' A' ' 57' ' ' LEU . 14.4 t0 -59.93 -15.38 21.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.05 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.55 -46.69 2.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 33.5 m -94.47 164.99 12.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.21 108.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.85 -32.22 15.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 72.21 109.326 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.864 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.3 m-30 -106.73 -169.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 73.13 111.034 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -155.93 118.63 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 61.3 110.413 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.27 -35.02 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 62.22 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.5 t70 72.66 56.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 63.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.13 135.8 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 70.3 109.56 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.81 -38.31 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 75.32 110.348 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.2 m -52.23 -54.38 31.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 71.44 110.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' SER . 81.9 m -54.86 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.43 108.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.1 m -134.83 170.16 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.05 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -43.97 -47.61 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.41 110.266 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG13 HD23 ' A' ' 50' ' ' LEU . 2.0 t -125.75 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 30.54 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 6.1 t60 -44.69 -51.34 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 65.5 109.553 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -155.4 -170.1 3.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 63.12 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.6 144.0 21.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 72.25 109.285 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -95.99 152.52 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 72.24 109.289 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG11 ' CG ' ' A' ' 17' ' ' PRO . 74.7 t -148.42 126.41 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 74.24 109.278 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 77.9 t80 -90.93 110.7 21.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 60.43 110.977 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.772 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -64.34 154.04 36.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 70.41 109.574 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -113.14 -42.99 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.35 109.362 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 11.5 m-70 -72.25 -12.2 61.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 55.52 109.58 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 68.6 mt -115.9 -31.68 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 73.35 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm 73.66 34.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.33 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.83 -166.83 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 74.24 110.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -117.74 165.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 55.22 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.9 m-85 -146.02 152.88 40.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 64.45 111.011 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -125.41 108.06 11.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.35 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -93.23 109.02 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 72.52 109.299 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.813 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -70.02 71.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 61.55 109.284 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 70' ' ' VAL . 17.0 mt -47.97 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.33 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.97 47.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 74.32 109.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.3 t -48.9 133.31 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 44.23 109.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.64 -42.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 53.34 110.413 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -116.41 -64.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.42 109.575 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 160.84 166.79 20.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 60.51 111.011 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.419 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.0 m -115.17 154.58 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 73.23 110.4 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.1 m-85 -138.93 160.58 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 73.01 110.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.754 HD11 ' OG ' ' A' ' 113' ' ' SER . 13.6 tp -115.32 56.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 75.03 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.6 -63.11 2.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 71.23 111.016 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 98' ' ' HIS . 3.8 p-80 -136.78 11.58 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.733 . . . . 72.21 109.59 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.613 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -119.71 160.15 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 72.45 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.787 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -123.0 146.38 47.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 62.24 110.294 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.909 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -114.4 162.59 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.14 109.323 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 3.3 mm-40 -89.63 157.98 46.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 61.42 110.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.603 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.0 53.51 3.36 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 65.13 110.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 169.08 -44.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 73.44 109.599 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -74.37 124.69 90.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.21 109.254 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.02 41.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 54.32 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.909 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.4 tp60 -135.59 111.88 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 51.32 110.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.603 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.97 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.13 110.308 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.603 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.1 mm -140.05 108.99 6.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.41 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 60.43 111.0 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 126' ' ' LEU . 23.9 mm -72.24 150.0 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 72.25 109.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.83 18.0 3.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 74.01 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.754 ' OG ' HD11 ' A' ' 96' ' ' LEU . 34.1 t -75.67 -168.55 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 75.22 109.967 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.827 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 28.5 m -156.22 128.33 7.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.41 110.432 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.94 147.05 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 25.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -136.17 112.51 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.2 110.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.787 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -67.57 -179.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 71.23 111.001 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -53.68 -72.49 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 62.04 110.953 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.723 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -77.69 -75.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 63.22 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.9 OUTLIER -35.32 101.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.12 109.982 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' ARG . 16.9 p -72.12 -4.5 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 72.04 110.383 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.825 HH12 HG21 ' A' ' 38' ' ' ILE . 14.2 mmt85 -45.45 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.42 110.346 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.827 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.5 60.23 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 65.44 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -37.76 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.24 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.2 m -97.23 102.1 13.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 51.41 110.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -73.07 108.37 5.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 64.24 109.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.67 -173.48 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 70.3 110.353 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 9.5 tt0 -156.84 105.04 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 72.51 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' GLU . 32.6 mtpt -37.26 98.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.12 109.304 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.0 Cg_endo -75.06 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 74.25 110.946 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.9 129.42 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 63.53 110.295 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 43.54 110.386 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.508 0.194 . . . . 72.14 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.01 139.06 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 72.44 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.9 134.53 54.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 72.15 109.319 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 63.4 109.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -88.95 115.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.25 109.331 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -138.79 129.13 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 73.41 109.328 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -154.42 163.88 39.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 73.04 110.023 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.41 153.77 3.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 64.34 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -80.25 -73.03 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 73.4 110.053 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -170.92 115.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 50.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 10' ' ' SER . 2.5 mm? -126.98 158.21 69.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 70.33 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 74.43 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.97 -34.32 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 53.2 109.264 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.739 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.3 t80 -171.45 157.19 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.12 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -122.01 119.49 31.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 73.45 109.273 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.7 p -69.64 142.31 91.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 74.11 108.301 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.02 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 60.42 111.002 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -113.42 -3.27 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 72.43 110.388 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.672 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.6 p-90 -95.69 -2.82 47.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.23 107.991 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.48 139.0 43.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.14 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.5 142.07 10.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.506 1.129 . . . . 64.33 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -49.24 117.97 7.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 75.42 109.282 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.0 156.56 43.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 60.14 111.004 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.658 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -75.01 153.86 42.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.757 . . . . 73.55 111.028 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 74.13 110.981 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.78 31.93 0.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 74.1 111.029 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.8 mt -129.8 165.75 21.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 0.73 . . . . 60.01 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 43.8 p-80 -176.98 145.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 75.21 109.566 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -89.43 172.26 9.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 72.3 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.744 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -156.45 167.31 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.6 t -141.83 143.43 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 61.44 109.301 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD22 ' A' ' 37' ' ' LEU . 2.1 t -141.86 132.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.53 109.264 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.811 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -71.52 -18.7 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 72.21 109.271 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.41 -61.55 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 51.43 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -137.35 17.85 2.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 63.03 109.273 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 32' ' ' VAL . 24.0 tttt -138.72 120.91 15.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 70.45 109.281 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 32' ' ' VAL . 1.2 tm? -62.45 119.13 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 74.1 109.288 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.811 HD11 ' HB3' ' A' ' 33' ' ' LYS . 21.2 mm -78.98 -74.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 72.24 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' HD11 ' A' ' 37' ' ' LEU . 15.9 pt-20 -133.15 -175.67 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 70.43 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -139.56 147.32 41.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 73.12 109.25 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.8 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -136.77 168.37 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 75.3 109.31 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.49 149.76 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.23 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -143.43 16.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 75.21 109.315 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 44' ' ' ASP . 11.0 p30 -107.18 46.47 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 65.32 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' HG22 ' A' ' 42' ' ' ILE . 3.9 mt-10 -131.41 -46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.51 110.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.36 -173.11 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 72.1 109.265 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.37 11.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 71.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.73 125.05 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 73.33 111.035 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.583 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.98 -168.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 74.04 111.024 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' CG1' ' A' ' 70' ' ' VAL . 3.2 mp -129.64 174.56 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 61.22 109.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.415 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 3.5 m-85 -164.48 107.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.4 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.07 -98.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.096 . . . . 74.2 110.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.614 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -159.68 -41.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 75.25 110.279 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.74 111.29 22.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 71.13 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.98 -20.58 16.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 74.03 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.504 ' OD1' HD23 ' A' ' 57' ' ' LEU . 5.1 t70 -60.0 -15.67 24.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 74.11 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.26 -47.1 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 64.41 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 70' ' ' VAL . 34.6 m -93.95 166.45 12.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.4 108.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.72 -32.83 14.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 63.21 109.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.8 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -107.01 -168.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 75.11 110.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 53' ' ' ARG . 2.2 p -156.71 119.87 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 61.23 110.398 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 71' ' ' HIS . 21.2 mt -66.67 -35.99 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 53.5 109.355 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t0 74.6 56.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 74.13 109.276 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.26 136.11 12.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 73.15 109.6 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.34 -40.11 81.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.11 110.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 2.8 m -51.58 -53.29 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 65.14 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 66' ' ' SER . 61.2 m -54.34 -172.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 60.13 108.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -135.13 166.68 22.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 64.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -40.38 -46.68 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.43 110.3 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.574 ' CG1' HD23 ' A' ' 50' ' ' LEU . 2.1 t -127.21 64.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.04 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 62' ' ' ILE . 5.9 t60 -44.86 -49.11 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 65.05 109.617 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 85' ' ' LEU . . . -157.51 -170.05 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 51.22 109.343 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.03 141.76 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 64.4 109.269 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 83' ' ' VAL . 9.0 tt -95.95 149.4 21.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 53.01 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.572 ' N ' HD23 ' A' ' 74' ' ' LEU . 70.6 t -146.6 121.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 73.53 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.65 ' CE1' HD13 ' A' ' 27' ' ' LEU . 53.4 t80 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 54.44 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -58.13 152.13 17.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.52 109.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -111.93 -42.93 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 62.41 109.329 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.453 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.8 m-70 -72.42 -13.21 61.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 73.25 109.648 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 64.4 mt -115.03 -25.4 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 64.5 109.282 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER 67.14 35.4 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 34.44 109.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -168.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 65.43 110.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 74' ' ' LEU . 60.4 t -116.97 162.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.25 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.1 m-85 -144.37 153.87 42.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 71.31 110.99 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.806 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.41 107.67 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.15 109.294 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -91.5 108.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.51 109.325 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.754 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.06 73.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 71.24 109.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD12 HG12 ' A' ' 70' ' ' VAL . 19.3 mt -49.78 85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 74.13 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER 35.52 49.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.04 109.325 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 93' ' ' GLY . 1.6 t -53.03 132.28 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.1 110.015 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -35.95 -42.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.15 110.392 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.5 m-70 -115.58 -52.03 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 72.23 109.647 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.28 176.06 17.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 72.42 110.982 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.6 m -119.84 155.82 31.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.757 . . . . 63.53 110.403 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.6 m-85 -138.18 160.97 38.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.13 110.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.594 HD11 ' OG ' ' A' ' 113' ' ' SER . 4.7 tp -117.61 55.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 54.31 109.331 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 94.29 -66.49 1.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 64.42 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.501 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 1.8 p-80 -135.11 10.27 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 74.41 109.588 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 10.6 mt -118.89 160.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 73.12 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.729 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.4 147.09 46.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 63.2 110.309 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -111.7 158.04 19.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 74.12 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 154.64 68.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 72.12 110.293 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.629 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.03 56.3 4.23 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.541 1.811 . . . . 64.13 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m-70 166.17 -46.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 72.3 109.603 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.16 126.5 90.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 71.45 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 153.81 41.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 64.24 111.013 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.804 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.1 tp60 -131.77 111.92 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 62.22 110.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.571 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.74 163.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 73.34 110.311 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.52 110.66 8.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 74.23 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HD3' HD21 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.0 161.21 39.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 61.21 111.005 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.451 HD13 ' CD1' ' A' ' 126' ' ' LEU . 28.5 mm -68.73 151.19 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.33 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 t0 53.62 20.68 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 72.22 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.594 ' OG ' HD11 ' A' ' 96' ' ' LEU . 41.5 t -75.79 -167.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 71.4 110.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.826 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 77.5 m -157.28 123.61 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 64.32 110.423 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -121.88 153.77 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 72.34 109.328 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 6.2 p -140.15 113.35 8.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 31.51 109.967 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.806 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.1 m-85 -70.78 166.96 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 75.02 110.976 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -37.42 -80.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 51.13 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.763 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -71.48 -75.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 70.13 109.265 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -36.0 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 63.34 109.987 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' ARG . 81.3 p -76.56 0.91 18.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 71.51 110.411 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 121' ' ' THR . 42.5 mmt-85 -46.93 174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 72.1 110.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.826 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.18 60.48 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 73.34 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' CE2' ' CE1' ' A' ' 117' ' ' PHE . 10.3 m-30 -38.43 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 63.05 111.018 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' NE ' ' A' ' 127' ' ' ARG . 8.9 m -90.71 92.67 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 53.33 110.402 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.0 OUTLIER -66.21 108.67 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.35 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.65 -172.37 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.45 110.266 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 27' ' ' LEU . 21.2 tt0 -160.97 110.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.32 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.691 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.3 mtpm? -37.28 98.18 0.15 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 74.03 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.4 Cg_endo -75.05 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 74.13 111.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -48.51 147.44 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.01 110.314 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 72.52 110.419 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.498 0.189 . . . . 71.24 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.33 174.23 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 52.52 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.14 15.42 14.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 74.21 109.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 43.68 51.2 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 62.32 109.305 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 5' ' ' VAL . 4.1 t -108.18 95.64 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 55.12 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -159.39 -174.34 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 71.4 109.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -138.72 172.07 13.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 72.21 109.997 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.2 164.38 23.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.498 1.124 . . . . 74.34 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -89.62 -72.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 61.4 110.026 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.462 ' N ' ' OG ' ' A' ' 9' ' ' SER . 90.3 p -155.95 150.24 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 54.43 109.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 56.89 164.4 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 61.2 109.268 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 73.01 111.067 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.814 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -114.24 -33.64 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 70.45 109.297 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -171.22 151.71 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 73.24 110.978 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -119.15 116.38 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 75.31 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.3 p -63.83 140.07 97.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 71.05 108.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -161.87 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.761 . . . . 62.21 110.981 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -111.36 -5.37 14.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 74.21 110.393 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.624 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.2 p-90 -94.48 -2.43 51.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.25 108.013 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.16 138.2 41.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 44.1 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.98 139.94 8.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 64.22 110.99 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -48.4 118.77 7.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 71.51 109.283 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.97 156.7 43.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 71.4 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.97 153.68 42.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.781 . . . . 64.32 111.027 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 72.34 110.938 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -175.43 33.08 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.112 . . . . 72.24 110.949 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.3 mt -130.77 165.41 23.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 71.43 109.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.57 144.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 75.2 109.585 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.9 tp -89.55 176.18 6.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.1 109.323 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.681 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -162.09 164.79 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 72.04 109.241 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.1 t -134.56 148.62 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 60.22 109.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 1.9 t -144.24 132.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 73.44 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 38' ' ' ILE . 12.1 ptmt -78.01 -7.47 56.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.34 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.9 -63.24 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 65.11 110.981 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.66 18.61 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 65.34 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' C ' HG13 ' A' ' 32' ' ' VAL . 6.5 tttp -139.94 126.72 20.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.21 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.7 tm? -66.0 118.66 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 72.33 109.264 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 33' ' ' LYS . 31.8 mm -79.15 -76.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 61.34 109.32 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -131.81 171.46 13.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.32 110.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.528 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.3 ttmt -127.49 146.51 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.05 109.253 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' CE2' ' A' ' 60' ' ' PHE . 1.5 mt -137.56 168.47 19.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 74.43 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -109.0 149.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 60.54 109.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.4 pp -141.57 15.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 75.13 109.353 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -110.28 46.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.33 109.291 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.97 -44.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 75.21 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -117.14 -173.76 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 75.32 109.299 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.09 -5.04 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 63.04 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -161.15 124.81 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.11 111.0 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.609 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.97 -168.33 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 74.35 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD21 HD23 ' A' ' 13' ' ' LEU . 3.2 mp -130.24 175.97 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 74.42 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.521 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 1.9 m-85 -166.3 108.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.45 110.982 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.53 -101.81 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 60.31 110.968 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 61' ' ' THR . 0.4 OUTLIER -156.79 -41.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 0.763 . . . . 61.23 110.328 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.88 111.62 25.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 65.43 109.255 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.5 Cg_endo -74.98 -20.15 17.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 54.03 111.04 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.1 m-20 -60.37 -15.41 25.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 74.14 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.57 -46.34 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 65.21 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 70' ' ' VAL . 32.6 m -93.97 165.37 12.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 43.01 108.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 -30.58 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 62.15 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.823 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.9 m-30 -107.17 -169.21 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 71.21 111.012 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 60' ' ' PHE . 1.7 p -155.84 120.87 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 72.14 110.387 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.49 -31.64 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 75.34 109.291 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.08 68.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 71.44 109.289 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.93 -161.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.41 109.623 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -121.95 -37.24 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 61.51 110.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.1 m -77.61 -37.92 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 53.22 109.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.529 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.0 p -49.37 169.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 74.45 108.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' ARG . 42.7 t -130.05 162.43 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 73.32 109.951 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.0 mpt_? -35.78 -50.24 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.55 110.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.611 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.6 t -126.94 66.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 70.13 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.457 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.1 t-160 -46.8 -46.21 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 72.42 109.597 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.65 -170.6 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 64.44 109.289 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -154.41 142.65 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.4 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.886 HD11 HG11 ' A' ' 83' ' ' VAL . 9.9 tt -93.28 154.73 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 74.33 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.673 ' N ' HD23 ' A' ' 74' ' ' LEU . 88.9 t -150.25 118.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 62.32 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CE1' HD13 ' A' ' 27' ' ' LEU . 47.7 t80 -85.01 107.24 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.55 110.981 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.624 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.94 154.06 10.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 70.22 109.55 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 15.1 ptmt -113.38 -43.35 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 74.43 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.46 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.3 m-70 -72.85 -13.05 61.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 62.32 109.589 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 65.4 mt -114.42 -31.14 6.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 72.21 109.33 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER 73.19 34.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.267 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.56 -168.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.32 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.886 HG11 HD11 ' A' ' 74' ' ' LEU . 59.1 t -116.5 161.51 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 74.14 109.353 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.9 m-85 -144.57 154.73 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 70.02 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.2 106.87 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.22 109.317 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -91.16 107.18 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 64.34 109.297 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.792 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -67.51 77.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 70.11 109.293 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 89' ' ' ASN . 28.1 mt -54.24 85.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.24 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 36.21 49.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 63.33 109.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 t -53.09 137.3 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 75.04 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.848 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -37.88 -46.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 51.01 110.427 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.848 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -115.32 -48.37 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 75.22 109.577 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 144.31 178.75 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 31.24 111.006 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.6 m -122.17 156.91 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 53.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 10.5 m-85 -138.71 161.26 37.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 72.33 110.994 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.809 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.1 tp -117.12 54.44 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.41 109.266 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.23 -64.63 1.95 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 70.31 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.8 p-80 -135.6 11.0 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 54.13 109.603 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.7 mt -119.61 159.61 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 75.25 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.747 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.64 145.88 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.43 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.841 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.92 159.22 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 72.11 109.298 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CG ' ' A' ' 105' ' ' LYS . 2.1 mm-40 -85.64 156.9 58.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 64.1 110.321 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.635 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.99 53.19 3.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 72.2 111.047 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.569 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.7 m-70 165.68 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 62.45 109.64 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 102' ' ' GLU . 7.9 mmpt? -85.48 123.22 73.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 72.53 109.275 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.18 40.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 60.54 111.018 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.841 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.9 tp60 -133.29 111.36 10.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 50.43 110.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.628 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.57 164.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 71.32 110.319 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.9 mm -138.75 110.37 8.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 73.44 109.324 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -75.0 163.59 35.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.55 110.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 126' ' ' LEU . 20.5 mm -68.96 147.88 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.35 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' LEU . 0.8 OUTLIER 56.94 18.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 62.12 109.344 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.809 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.3 t -71.93 -169.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.32 110.007 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.567 ' O ' HD12 ' A' ' 96' ' ' LEU . 46.4 m -154.76 126.63 7.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 34.44 110.394 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.7 m -123.38 154.86 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 52.43 109.284 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 p -142.98 113.55 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 62.15 110.022 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.874 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.7 m-85 -74.09 160.05 31.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 71.51 111.014 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.44 -77.75 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 71.5 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.529 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.46 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 65.21 109.281 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -60.74 175.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 55.11 110.05 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.7 p -134.77 14.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 52.52 110.402 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -55.76 -176.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 75.3 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.85 62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 60.34 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.93 114.99 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 70.11 110.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -104.83 102.92 12.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 70.35 110.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -73.8 108.2 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.45 109.327 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.578 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.7 -172.12 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 70.23 110.302 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HG3' HD23 ' A' ' 27' ' ' LEU . 31.6 tt0 -160.1 106.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.15 110.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.664 ' CB ' ' HZ3' ' A' ' 129' ' ' LYS . 6.6 mtpm? -36.83 98.04 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.03 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 54.33 111.016 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -91.85 146.98 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 73.22 110.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 70.5 110.383 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.484 0.183 . . . . 74.41 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 164.59 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 54.51 109.27 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.77 154.35 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.23 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.66 108.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 63.42 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -108.7 65.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 71.23 109.279 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -133.75 116.83 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.32 109.29 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.8 p -107.08 134.02 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 72.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.86 135.95 8.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 74.22 111.016 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -58.12 133.66 55.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.796 . . . . 64.34 109.987 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -120.13 178.86 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.04 109.995 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.8 mm? -74.83 155.74 86.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 70.31 109.247 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 71.02 110.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.82 -23.67 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.41 109.335 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 6.6 t80 -173.18 166.12 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 73.03 111.012 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 9.1 t70 -135.8 115.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -65.29 141.03 98.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 72.25 108.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 18.2 Cg_endo -75.04 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 71.12 110.995 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -111.13 -4.66 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.21 110.396 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.539 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.8 p-90 -94.84 -2.6 50.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 71.21 108.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.4 137.53 41.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.55 109.295 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.71 138.37 7.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 45.04 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -46.4 118.44 4.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 74.41 109.355 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 156.1 43.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 74.03 110.988 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.5 Cg_endo -74.96 154.61 42.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 74.31 111.002 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 77.56 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 73.33 111.021 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.61 32.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.1 . . . . 74.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 7.6 mt -130.48 164.68 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 70.14 109.298 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 34.0 p-80 -176.89 146.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 75.25 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.1 mt -90.21 -177.7 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 70.14 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -164.26 165.55 21.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 62.32 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.674 ' O ' HD22 ' A' ' 37' ' ' LEU . 96.3 t -136.04 142.22 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 71.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 1.9 t -140.08 129.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 74.41 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' A' ' 38' ' ' ILE . 7.3 ptpt -72.21 -14.96 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 71.05 109.318 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.07 -59.48 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 24.22 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.97 20.54 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 75.13 109.309 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 32' ' ' VAL . 17.8 tttt -144.57 129.66 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 70.53 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -69.55 118.97 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 71.34 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD11 ' HB3' ' A' ' 33' ' ' LYS . 45.7 mm -79.79 -74.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.43 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' LEU . 11.7 pt-20 -132.84 -175.27 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 73.5 110.285 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.4 ttmt -137.09 148.48 46.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 63.13 109.261 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD13 ' CE2' ' A' ' 60' ' ' PHE . 8.3 mt -136.67 167.38 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.54 109.256 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.794 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.28 150.18 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 53.24 109.351 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -144.71 17.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 72.21 109.235 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 25' ' ' PRO . 1.5 p-10 -107.46 42.49 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 53.45 109.242 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.35 -46.78 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 62.31 110.325 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.03 -173.99 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.43 109.27 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -116.46 -3.33 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 73.45 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -163.0 124.84 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 75.13 111.042 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.08 -169.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 64.44 110.99 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.722 HD21 HD23 ' A' ' 13' ' ' LEU . 3.6 mp -128.68 177.26 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 71.03 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 2.5 m-85 -166.56 108.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 71.13 111.007 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -162.39 -100.52 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 61.31 110.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.691 HH21 HH11 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -157.73 -43.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 72.01 110.3 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 111.6 22.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 65.22 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -75.03 -20.61 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 74.15 111.012 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.524 ' OD2' HD23 ' A' ' 57' ' ' LEU . 6.9 t70 -59.61 -16.68 27.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 61.3 109.295 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -122.75 -46.38 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.315 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' PRO . 46.1 m -93.66 166.18 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 71.24 108.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.51 -33.21 13.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 62.13 109.296 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.8 m-30 -105.14 -169.79 1.66 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 64.23 110.996 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.7 p -154.38 116.25 4.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.21 110.408 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 15.7 mt -66.93 -26.71 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.21 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.51 58.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.52 109.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.03 136.64 15.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 71.1 109.618 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.02 -31.73 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 74.15 110.268 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.726 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.1 m -61.02 -52.39 65.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 55.41 109.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG21 ' A' ' 62' ' ' ILE . 60.1 m -55.25 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 71.23 108.302 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 t -135.95 170.01 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.05 110.03 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.691 HH11 HH21 ' A' ' 53' ' ' ARG . 1.5 mpt_? -42.07 -49.95 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.13 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG12 HD12 ' A' ' 88' ' ' LEU . 1.8 t -124.23 65.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 70.22 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.712 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.2 t60 -49.27 -45.57 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.25 109.581 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -164.85 -179.35 5.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 65.42 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -147.06 144.36 29.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 64.35 109.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 83' ' ' VAL . 3.6 tt -95.92 157.66 15.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 54.32 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.718 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.1 t -151.14 124.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 72.23 109.29 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.687 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.0 t80 -89.72 106.96 18.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 75.34 111.008 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.539 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -56.29 153.34 9.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 63.55 109.645 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.64 -43.69 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 71.13 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -72.65 -13.34 61.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.02 109.58 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 41.2 mt -115.0 -27.01 7.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.42 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 68.13 36.76 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 64.03 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -129.72 -168.31 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.41 110.335 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 74' ' ' LEU . 93.3 t -115.64 161.5 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 71.2 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.593 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -146.33 151.89 38.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.23 111.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -122.19 109.12 14.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.33 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.5 108.09 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 75.25 109.293 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 9.0 t70 -72.12 98.27 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 74.33 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD12 HG12 ' A' ' 70' ' ' VAL . 24.4 mt -72.67 81.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 73.44 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER 33.36 52.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 63.31 109.289 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.712 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 14.0 t -55.57 136.41 50.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 51.43 109.968 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.786 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.98 -48.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 55.14 110.394 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.9 m-70 -102.07 -74.37 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 71.4 109.614 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 165.38 164.23 20.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 70.33 111.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.413 HG21 ' HG ' ' A' ' 85' ' ' LEU . 58.9 m -115.06 148.9 38.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 65.52 110.407 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 7.1 m-85 -134.89 167.4 20.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 71.22 110.975 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.474 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.0 tp -119.69 55.6 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 63.41 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.03 -65.9 1.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 72.01 111.019 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.7 p-80 -138.82 13.76 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 65.45 109.587 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 25.6 mt -120.55 148.66 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 75.14 109.315 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -102.38 141.91 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 72.22 110.248 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 107' ' ' GLN . 1.5 mt -111.28 149.65 30.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 71.22 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 1.3 mm-40 -80.26 150.48 71.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 64.3 110.331 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.4 Cg_endo -74.98 59.53 5.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 62.04 110.998 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.3 m-70 162.91 -45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 74.42 109.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.78 126.9 89.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 62.32 109.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 159.5 41.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 71.11 111.024 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 101' ' ' LEU . 25.2 tp60 -140.68 112.63 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 74.52 110.264 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.81 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 52.2 110.306 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 108' ' ' GLN . 8.4 mm -139.6 111.48 7.59 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 64.54 109.244 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -75.03 160.99 39.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 70.22 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 22.0 mm -67.85 151.39 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.43 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.2 t0 52.89 21.18 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 65.32 109.324 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 96' ' ' LEU . 31.8 t -76.18 -169.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 64.42 109.988 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.629 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 98.4 m -152.97 127.14 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 71.24 110.396 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.467 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.2 m -126.33 147.25 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 74.42 109.292 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -135.91 110.82 8.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 72.1 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -66.27 -174.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 74.25 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -56.53 -80.01 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 71.51 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.726 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -73.98 -69.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.776 . . . . 65.43 109.334 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 1.2 t -35.47 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 65.45 109.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.3 t -68.23 -7.96 34.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 73.52 110.437 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 121' ' ' THR . 46.1 mmt-85 -45.29 170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 72.04 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.629 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -132.47 61.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 61.32 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.467 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.7 m-30 -36.67 113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.42 110.996 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.8 m -104.07 94.29 5.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 65.11 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -65.14 108.96 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 73.54 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.566 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -100.03 -172.67 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.05 110.288 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' LYS . 35.4 tt0 -158.57 105.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 71.22 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' GLU . 25.2 mttm -37.76 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.11 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 71.2 111.047 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -47.64 127.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 62.03 110.285 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 75.24 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.518 0.199 . . . . 74.34 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.66 32.24 13.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 52.15 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.13 49.41 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 65.12 109.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.78 89.44 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 44.4 109.296 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.0 p -124.65 88.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 72.11 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -134.68 85.54 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 71.23 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 t -115.15 43.07 2.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 71.11 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.49 -168.82 22.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 61.13 110.995 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.68 109.78 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 61.34 110.028 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -174.53 -178.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 70.31 109.956 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.48 157.68 0.3 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 43.41 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 74.3 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.12 -32.31 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 73.13 109.335 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.721 ' H ' HD22 ' A' ' 13' ' ' LEU . 10.4 t80 -153.83 164.35 38.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.24 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 57.6 t0 -137.11 114.6 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 73.13 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.8 p -62.93 139.38 97.4 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 73.22 108.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 62.33 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -112.49 -4.51 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 53.03 110.422 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.628 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.77 -2.94 50.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 71.5 107.963 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.7 137.77 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 70.03 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.32 138.66 8.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 74.2 110.986 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.62 117.96 6.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.33 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.05 154.52 42.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 44.43 110.97 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.97 155.51 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 62.35 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.503 1.791 . . . . 73.23 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -171.86 31.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.573 1.17 . . . . 64.31 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.4 mt -130.33 166.73 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 72.34 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 49.6 p-80 -177.21 146.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 64.04 109.61 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' HG ' HG21 ' A' ' 43' ' ' ILE . 4.9 mt -89.87 -176.13 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 73.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.622 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.4 m-20 -165.75 168.04 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 72.45 109.273 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' HD22 ' A' ' 37' ' ' LEU . 91.9 t -143.58 142.54 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 75.11 109.328 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 HD22 ' A' ' 37' ' ' LEU . 1.7 t -141.64 132.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 50.44 109.31 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 38' ' ' ILE . 2.0 ptpt -69.81 -18.12 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 73.33 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.86 -57.02 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 74.13 111.004 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -137.04 12.6 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 74.31 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.601 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -136.27 124.46 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 72.22 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD22 HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -66.24 117.42 8.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 70.31 109.309 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 33' ' ' LYS . 43.2 mm -75.22 -74.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 70.12 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.67 ' O ' HD11 ' A' ' 37' ' ' LEU . 13.9 pt-20 -135.54 -172.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 64.34 110.365 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 41' ' ' LEU . 18.3 ttmt -137.27 153.63 50.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 70.32 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 60' ' ' PHE . 11.6 mt -140.54 166.83 23.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 62.12 109.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -112.18 147.81 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.13 109.329 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.08 14.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 51.11 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 3.1 p30 -104.25 43.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.24 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.74 -47.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 75.23 110.274 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.25 -175.7 2.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 72.51 109.282 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.6 -2.91 12.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 64.44 109.332 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.47 124.74 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 54.3 111.043 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -118.82 -167.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.34 110.964 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 58' ' ' CYS . 1.4 mt -130.78 174.76 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.52 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.8 m-85 -164.64 108.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 74.32 110.966 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -160.89 -100.99 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.119 . . . . 61.44 111.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' THR . 0.9 OUTLIER -157.51 -41.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 73.32 110.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.79 111.8 26.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 71.23 109.333 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -21.7 15.64 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 74.14 110.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.527 ' OD1' HD23 ' A' ' 57' ' ' LEU . 4.4 t0 -58.49 -17.27 19.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 62.22 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD23 ' OD1' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -121.74 -50.68 2.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 55.35 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.708 ' HA ' HD13 ' A' ' 50' ' ' LEU . 37.6 m -88.91 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 72.4 108.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.16 -33.05 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.14 109.341 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.2 m-30 -106.54 -169.58 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.34 111.02 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.5 p -154.44 122.47 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 75.13 110.369 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.98 -31.55 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 75.21 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 61.17 68.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 62.04 109.342 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.4 -162.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.22 109.575 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -121.69 -37.3 2.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.42 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.552 ' OG ' ' HB1' ' A' ' 119' ' ' ALA . 0.3 OUTLIER -77.01 -37.74 54.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 44.32 109.976 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.54 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 25.6 p -49.96 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 72.22 108.307 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 18.2 t -130.57 161.84 30.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 55.43 109.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' SER . 5.5 mpt_? -36.33 -48.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.32 110.274 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG13 HD22 ' A' ' 50' ' ' LEU . 1.6 t -127.86 65.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 70.31 109.317 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.8 t60 -46.98 -50.8 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 75.43 109.578 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.03 -171.0 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 53.34 109.288 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -152.96 143.94 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.02 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 75' ' ' VAL . 5.0 tt -95.92 151.5 19.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 54.33 109.272 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.896 ' N ' HD23 ' A' ' 74' ' ' LEU . 98.6 t -147.01 122.56 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 64.45 109.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.708 ' CE1' HD13 ' A' ' 27' ' ' LEU . 49.1 t80 -87.72 106.11 17.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 74.41 111.035 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.628 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -55.86 153.81 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 74.42 109.652 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -113.08 -43.55 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 73.14 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.6 m-70 -72.78 -13.25 61.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 71.55 109.615 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 69.6 mt -114.42 -27.22 7.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 65.5 109.26 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 68.56 35.65 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 62.03 109.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.0 -168.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.44 110.331 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.663 HG11 HD11 ' A' ' 74' ' ' LEU . 63.9 t -115.71 161.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.14 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.601 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 14.7 m-85 -144.97 154.44 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 74.53 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.852 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -125.02 106.9 10.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 54.23 109.273 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -90.91 107.78 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.15 109.29 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.826 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -69.83 80.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 50.15 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 89' ' ' ASN . 21.9 mt -55.99 84.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 61.23 109.276 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 33.53 51.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.03 109.277 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.5 t -57.04 138.77 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 74.5 109.99 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.1 -52.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 62.23 110.384 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.5 OUTLIER -105.73 -65.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.22 109.603 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.64 170.74 24.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 73.24 110.979 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.7 m -113.76 155.07 26.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 73.33 110.403 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.0 m-85 -137.02 163.07 31.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 65.21 110.987 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.846 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.4 tp -119.14 54.43 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.21 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 114' ' ' THR . . . 95.47 -66.11 1.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 74.54 111.039 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.14 10.25 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 65.44 109.598 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 15.0 mt -119.99 160.9 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 75.14 109.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.737 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.53 148.01 45.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.24 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.96 160.58 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 71.44 109.31 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -84.92 156.74 60.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 72.34 110.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 55.17 3.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 73.51 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.9 m-70 166.14 -42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 109.56 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.93 125.03 90.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 64.2 109.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.59 42.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 71.13 111.021 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.881 ' HB3' HD13 ' A' ' 101' ' ' LEU . 27.6 tp60 -132.4 111.58 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 74.2 110.286 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.654 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.84 164.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 74.43 110.305 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.6 mm -140.44 108.95 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.02 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.437 1.756 . . . . 73.25 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.57 148.18 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.12 109.263 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.78 16.1 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.5 109.336 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.846 ' OG ' HD11 ' A' ' 96' ' ' LEU . 13.1 t -70.68 -172.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 74.21 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' ' OG ' ' A' ' 113' ' ' SER . 55.6 m -156.09 125.7 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 42.41 110.393 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 124' ' ' TYR . 1.5 m -120.8 157.17 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.3 109.316 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 p -144.36 113.61 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.51 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.852 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -75.26 156.66 35.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 70.54 111.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -55.68 -76.11 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 74.41 111.041 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.552 ' HB1' ' OG ' ' A' ' 66' ' ' SER . . . -38.73 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 53.14 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -61.76 176.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 72.51 110.041 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -137.07 30.99 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.34 110.397 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . 38.0 mmt-85 -72.94 -174.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 72.53 110.259 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -138.38 58.39 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 74.01 109.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.522 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -44.88 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 63.44 110.957 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.513 HG22 ' CD ' ' A' ' 127' ' ' ARG . 2.5 m -105.46 104.22 13.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 73.13 110.407 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -71.03 111.75 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.11 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -98.48 -167.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 65.13 110.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.1 tm-20 -170.21 109.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 63.15 110.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' CA ' ' A' ' 26' ' ' GLY . 73.3 mttt -37.63 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.21 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.0 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.11 111.009 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -72.45 149.61 44.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 72.11 110.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 75.51 110.44 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.528 0.204 . . . . 73.21 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 150.02 26.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 63.32 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 84.34 6.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 72.2 109.255 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.35 108.04 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.22 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG12 ' OD1' ' A' ' 6' ' ' ASN . 12.9 t -84.23 -55.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 73.55 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.514 ' OD1' HG12 ' A' ' 5' ' ' VAL . 6.1 m120 -144.95 131.59 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 73.12 109.273 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -78.5 -72.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 55.22 110.033 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.99 43.0 8.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 64.32 110.961 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 p -129.24 97.98 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 65.31 109.995 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 p -174.51 169.51 3.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 72.54 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.18 159.2 59.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.11 109.29 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 74.43 110.969 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.44 -31.78 6.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 74.31 109.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.709 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -172.26 153.11 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.1 111.024 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.42 116.65 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.34 109.322 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.6 p -66.21 143.34 98.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 64.21 108.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.778 . . . . 74.23 111.02 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -111.98 -3.26 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 65.43 110.367 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.526 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 2.2 p-90 -96.05 -2.61 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.003 -1.11 . . . . 74.44 108.003 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -75.46 137.5 40.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 75.41 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 139.82 8.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 54.43 110.997 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.95 118.39 5.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 70.25 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 156.2 42.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 62.21 111.017 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -75.01 154.35 42.38 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 71.54 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.03 3.53 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.435 1.755 . . . . 63.31 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.48 32.39 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 71.24 111.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.719 HD11 ' HD2' ' A' ' 24' ' ' PRO . 6.8 mt -130.21 165.41 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 70.24 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 35.2 p-80 -176.93 146.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 75.24 109.605 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HG ' HG21 ' A' ' 43' ' ' ILE . 5.2 mt -90.32 -175.46 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.44 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.674 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -167.1 167.44 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 64.33 109.278 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.757 ' O ' HD22 ' A' ' 37' ' ' LEU . 87.9 t -137.96 143.21 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.42 109.27 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 123' ' ' ALA . 2.0 t -140.67 128.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.25 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -76.66 -3.15 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 74.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -67.0 0.3 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 54.4 111.021 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -136.43 20.25 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 70.44 109.3 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -140.91 123.35 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 74.43 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.8 tm? -64.27 119.24 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 65.43 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.646 HD11 ' HG2' ' A' ' 33' ' ' LYS . 49.1 mm -80.65 -72.43 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 52.54 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 37' ' ' LEU . 9.5 pt-20 -132.79 -177.35 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 74.31 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.602 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.4 ttmt -135.64 150.97 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 60' ' ' PHE . 9.1 mt -140.37 166.73 23.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 60.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -111.86 148.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 73.23 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.578 HG21 ' HG ' ' A' ' 29' ' ' LEU . 1.7 pp -141.23 15.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 50.42 109.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 32.4 p-10 -106.49 52.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 75.33 109.263 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -137.98 -46.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 74.2 110.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.81 -175.69 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 73.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.669 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -114.82 -3.15 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.0 109.342 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -164.52 126.85 2.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 75.14 110.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CE2' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.37 -166.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 72.21 111.002 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.736 HD21 HD23 ' A' ' 13' ' ' LEU . 4.6 mp -131.17 177.8 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 64.54 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 60' ' ' PHE . 2.5 m-85 -166.2 111.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 73.03 110.967 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.69 -100.93 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 43.21 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -157.32 -40.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 63.4 110.254 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.29 111.0 24.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 73.3 109.314 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.4 Cg_endo -74.96 -20.73 16.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 71.32 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 22.6 t0 -60.21 -15.7 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 74.31 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -123.03 -48.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 70.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.569 ' SG ' HG13 ' A' ' 70' ' ' VAL . 63.9 m -89.92 169.81 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 72.44 108.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -32.55 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.42 109.338 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' A' ' 41' ' ' LEU . 4.7 m-30 -109.08 -170.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.05 111.02 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -152.71 122.09 6.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 70.5 110.368 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 71' ' ' HIS . 25.9 mt -70.19 -31.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 63.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 19.6 t0 61.97 69.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 72.32 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.7 OUTLIER -145.24 -162.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 75.23 109.578 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -120.85 -37.84 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 53.21 110.311 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.496 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 0.8 OUTLIER -77.78 -40.88 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 52.34 110.034 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.454 ' SG ' ' CD ' ' A' ' 53' ' ' ARG . 24.9 p -45.05 167.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 61.22 108.334 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.4 m -127.62 161.34 29.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 72.35 110.027 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.2 mpt_? -35.7 -49.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 43.24 110.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.629 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -126.55 65.7 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 55.24 109.295 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.792 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 4.5 t60 -46.84 -50.74 18.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 75.11 109.603 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -157.93 -175.72 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 72.43 109.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -148.18 141.79 25.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 63.03 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 83' ' ' VAL . 4.7 tt -94.47 159.62 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 72.44 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.727 ' N ' HD23 ' A' ' 74' ' ' LEU . 84.3 t -153.72 124.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 63.3 109.237 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE1' HD13 ' A' ' 27' ' ' LEU . 51.2 t80 -90.14 109.28 20.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.31 110.972 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.526 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -57.8 152.75 15.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 65.41 109.593 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' TRP . 14.1 ptmt -112.06 -43.57 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 71.43 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.31 -13.15 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.12 109.59 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 51.4 mt -115.0 -33.18 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 73.23 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt 75.31 34.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.23 109.331 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -126.77 -168.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 72.34 110.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 74' ' ' LEU . 85.3 t -116.42 162.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 63.4 109.302 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.0 m-85 -146.47 152.24 38.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 74.5 110.996 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -122.12 109.12 14.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.21 109.275 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.98 108.24 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 74.2 109.314 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 90' ' ' SER . 10.2 t0 -72.28 100.75 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 73.53 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 89' ' ' ASN . 30.1 mt -76.76 82.1 3.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 72.22 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.516 ' C ' ' O ' ' A' ' 88' ' ' LEU . 5.2 m-80 31.85 52.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 53.23 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.792 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 25.8 t -56.42 144.36 31.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 54.15 110.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.932 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.03 -34.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 62.33 110.378 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.932 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.7 m-70 -123.31 -68.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 73.13 109.539 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 161.44 173.59 30.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 62.21 111.0 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' HG ' ' A' ' 85' ' ' LEU . 6.4 m -118.75 150.17 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 64.51 110.372 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 100' ' ' ARG . 6.7 m-85 -133.29 168.54 18.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 64.24 110.982 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.573 HD11 ' OG ' ' A' ' 113' ' ' SER . 8.7 tp -121.76 59.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.3 109.339 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.18 -63.72 3.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 55.04 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.56 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 4.7 p-80 -142.04 24.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 73.12 109.574 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' PHE . 13.9 mt -131.41 143.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 62.34 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -101.48 140.28 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.24 110.298 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -112.79 154.07 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 74.32 109.317 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.4 150.71 71.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 74.34 110.323 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.3 Cg_endo -75.0 56.97 4.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 74.41 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 167.89 -41.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 74.43 109.656 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -77.45 127.14 83.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 75.05 109.312 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 160.01 40.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 74.45 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 101' ' ' LEU . 28.5 tp60 -141.1 111.58 6.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.03 110.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.6 ' N ' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -43.0 166.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 74.34 110.277 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 108' ' ' GLN . 6.5 mm -138.96 111.99 8.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 74.4 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.97 162.26 37.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 63.23 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 128' ' ' GLU . 30.3 mm -68.1 145.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 73.21 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 126' ' ' LEU . 21.2 t0 58.66 16.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.24 109.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.573 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -69.02 -170.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 65.24 109.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 96' ' ' LEU . 92.7 m -153.88 122.87 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 71.32 110.396 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -121.25 148.76 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 72.1 109.286 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 p -137.59 109.6 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 63.41 109.977 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.855 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.6 m-85 -65.92 175.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 73.42 110.968 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -50.14 -78.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 33.04 111.004 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 66' ' ' SER . . . -73.9 -69.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 60.54 109.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -35.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 70.02 109.985 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' ALA . 5.1 t -67.21 -8.97 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 74.22 110.392 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.4 mmt-85 -44.81 169.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 60.24 110.285 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -131.38 60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 73.02 109.335 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 115' ' ' VAL . 10.2 m-30 -39.24 114.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 62.35 110.999 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -107.38 100.05 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 74.34 110.378 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.3 tm? -67.47 109.31 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 75.23 109.277 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.88 -173.52 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.45 110.316 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tt0 -155.42 106.02 2.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.41 110.277 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' GLU . 24.3 mttm -37.89 98.82 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 75.15 109.288 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 55.12 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -71.0 128.32 35.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 70.34 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 74.43 110.433 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.534 0.207 . . . . 74.34 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.3 168.96 8.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 75.42 109.338 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.84 109.86 13.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.02 109.312 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 69.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 75.22 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.98 151.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 75.14 109.285 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.58 79.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 42.2 109.311 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -67.16 -58.35 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 63.11 110.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.68 -176.37 16.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 41.2 111.059 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -51.77 -68.44 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 73.23 109.943 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.605 ' C ' HD22 ' A' ' 11' ' ' LEU . 21.3 m -171.3 118.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 75.45 110.022 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 10' ' ' SER . 2.8 mm? -118.02 155.65 51.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 72.45 109.278 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 65.13 110.979 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -110.32 -23.59 11.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 52.05 109.288 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.795 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 12.6 t80 -164.68 165.74 20.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 63.42 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 6.2 t70 -134.55 111.26 9.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 53.34 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 12.2 p -66.61 136.51 94.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 42.32 108.307 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.695 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 74.14 111.038 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -116.1 -1.75 12.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.21 110.418 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.702 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.4 p-90 -96.46 -2.75 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.966 -1.124 . . . . 64.41 107.966 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 138.64 45.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 72.42 109.294 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.36 137.41 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 73.11 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -43.51 117.09 2.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.54 109.311 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 157.51 42.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 74.4 110.99 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.644 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.9 152.42 41.24 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 62.44 111.049 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.12 3.81 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 63.4 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -173.31 31.72 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 54.43 111.0 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 24' ' ' PRO . 8.2 mt -129.37 164.78 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 71.23 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 31.1 p-80 -176.57 144.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 61.21 109.591 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -87.55 171.78 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 75.15 109.231 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.741 ' H ' HD13 ' A' ' 29' ' ' LEU . 1.8 m-20 -159.21 163.99 35.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 71.42 109.316 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.704 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -136.46 147.71 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 74.02 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.7 t -142.82 131.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 61.02 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -74.49 -15.05 60.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 73.42 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.82 -61.99 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 70.01 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.87 18.39 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 74.11 109.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG13 ' A' ' 32' ' ' VAL . 20.8 tttt -139.94 125.47 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 74.44 109.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.5 tm? -64.85 118.89 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 64.1 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' LYS . 32.9 mm -77.13 -75.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 63.33 109.272 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.8 pt-20 -129.8 -173.7 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.52 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.726 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.7 ttmt -141.1 151.38 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 74.42 109.247 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -144.07 167.33 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 71.25 109.288 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.724 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -107.9 148.42 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.04 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.6 pp -141.41 15.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 73.1 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.3 p30 -110.07 43.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 64.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -128.32 -43.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 71.01 110.332 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -115.66 -171.38 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 64.33 109.3 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -115.23 -8.8 12.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.35 109.289 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -163.65 126.87 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.24 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -119.16 -172.85 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 73.24 111.044 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 13' ' ' LEU . 3.7 mp -123.11 171.95 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 70.2 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.0 m-85 -160.65 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.05 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -159.99 -99.69 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 72.22 111.017 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -158.39 -43.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 72.44 110.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.07 111.35 17.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.43 109.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.99 -18.13 19.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 62.52 110.97 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -63.99 -20.51 65.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.1 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -117.57 -44.78 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.23 109.273 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' PRO . 61.2 m -95.48 167.07 11.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 74.51 108.332 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.05 -32.65 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 75.3 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 41' ' ' LEU . 5.5 m-30 -107.13 -170.03 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.42 110.954 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.4 p -152.95 121.28 6.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 73.41 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.3 mt -69.61 -31.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 61.55 109.234 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 61.27 70.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.42 109.271 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -147.2 -163.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 71.1 109.569 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -120.94 -37.2 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.12 110.259 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.479 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 1.6 m -76.96 -37.8 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 50.43 109.971 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' N ' ' CB ' ' A' ' 119' ' ' ALA . 24.8 p -50.46 169.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.5 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ARG . 57.4 m -130.14 163.44 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 72.01 110.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mtt-85 -36.35 -51.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 75.11 110.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG11 ' O ' ' A' ' 13' ' ' LEU . 2.3 t -125.67 66.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 73.4 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.0 t-160 -48.64 -45.46 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 73.42 109.599 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.94 -171.0 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 73.51 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.95 141.69 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 72.43 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 83' ' ' VAL . 7.8 tt -93.87 148.69 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.22 109.253 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 17' ' ' PRO . 84.3 t -143.32 118.97 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.42 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.616 ' CE1' HD13 ' A' ' 27' ' ' LEU . 56.0 t80 -84.58 109.41 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 50.52 111.024 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.702 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -60.17 155.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.32 109.612 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -115.47 -43.43 3.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 72.33 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 12.8 m-70 -73.03 -12.95 61.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 109.595 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 71.0 mt -113.5 -30.14 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.21 109.264 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 72.66 33.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.12 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -129.43 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 70.55 110.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 74' ' ' LEU . 93.0 t -118.38 163.78 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 71.1 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.548 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.0 m-85 -145.38 156.47 43.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 70.2 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.856 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -127.5 108.3 10.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 74.02 109.338 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -92.54 107.02 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 54.31 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -69.45 79.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 73.15 109.311 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.557 HD12 HG12 ' A' ' 70' ' ' VAL . 20.8 mt -55.32 84.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 54.41 109.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 35.82 50.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 73.15 109.262 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.2 t -54.85 136.27 47.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 61.11 110.004 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.84 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.62 -48.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 74.22 110.4 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.84 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -111.01 -55.39 2.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 74.33 109.589 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 149.92 178.92 25.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 53.2 111.02 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' HG ' ' A' ' 85' ' ' LEU . 1.9 m -122.45 156.1 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 74.44 110.423 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.7 m-85 -137.32 163.01 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 74.42 111.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.8 HD11 ' OG ' ' A' ' 113' ' ' SER . 12.5 tp -120.41 53.55 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 74.02 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.31 -67.66 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 64.41 110.997 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.3 p-80 -135.21 11.22 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 64.3 109.59 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.601 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 18.8 mt -120.7 160.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 71.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.739 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.7 148.86 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 75.42 110.276 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.84 160.18 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 63.21 109.303 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.8 156.09 61.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 62.41 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.622 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 74.53 111.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.5 m-70 164.92 -44.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 63.15 109.599 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -72.73 125.16 91.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 74.41 109.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.69 39.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 74.23 111.008 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.5 tp60 -129.73 112.36 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 74.21 110.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.673 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.89 164.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 73.23 110.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 108' ' ' GLN . 9.0 mm -140.51 109.54 6.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 72.33 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.5 Cg_endo -74.9 160.15 40.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.11 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 126' ' ' LEU . 30.1 mm -67.58 148.82 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 63.31 109.255 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.34 17.26 4.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.21 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.8 ' OG ' HD11 ' A' ' 96' ' ' LEU . 33.4 t -74.87 -169.0 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 64.03 109.967 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.597 ' O ' HD12 ' A' ' 96' ' ' LEU . 65.4 m -155.91 131.29 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 71.2 110.377 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.3 m -125.93 157.59 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.13 109.318 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.1 p -144.37 111.48 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 70.01 110.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.856 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.8 m-85 -72.84 157.03 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.44 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -52.95 -77.24 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 63.43 110.972 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.546 ' CB ' ' N ' ' A' ' 67' ' ' CYS . . . -39.69 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 60.02 109.318 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PHE . 1.5 p -58.04 174.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 64.22 110.045 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.0 p -133.92 12.37 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 72.12 110.41 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -56.91 -172.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 61.52 110.283 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -140.65 62.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 52.43 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -44.5 110.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.43 110.993 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.3 m -102.84 99.8 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 52.05 110.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.2 tm? -70.13 108.48 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.21 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -97.13 -173.36 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 72.32 110.327 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 130' ' ' PRO . 3.5 tm-20 -154.28 106.1 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 71.4 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 128' ' ' GLU . 27.3 mtpt -37.12 98.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.2 Cg_endo -75.01 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 43.54 111.027 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -85.35 145.63 27.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 71.33 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 72.5 110.452 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.49 0.186 . . . . 73.43 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.61 166.34 24.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 61.32 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.57 168.81 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 73.3 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.8 110.93 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 61.54 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.0 32.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.44 109.261 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 48.03 44.52 18.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 72.54 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -102.87 107.38 18.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 64.52 110.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.76 -145.63 8.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.497 1.123 . . . . 75.02 111.0 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -155.29 -179.88 8.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 74.14 110.047 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -61.74 144.43 54.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 75.35 109.974 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.8 164.31 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 72.34 109.292 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 72.31 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -112.9 -28.15 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 74.55 109.283 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . 15.4 t80 -158.62 166.35 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 74.23 111.014 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 12.9 t0 -136.36 112.83 9.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 74.04 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 5.4 t -65.0 137.22 97.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 71.15 108.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.661 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.6 Cg_endo -74.9 -161.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 73.44 111.037 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -116.75 0.1 12.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 70.23 110.428 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.796 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -97.91 -3.31 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.976 -1.12 . . . . 63.24 107.976 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' HB1' ' HB2' ' A' ' 47' ' ' LYS . . . -76.37 139.52 41.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.55 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' A' ' 78' ' ' LYS . . . -128.69 -115.41 1.85 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 64.25 111.056 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.01 116.31 3.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 72.32 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 144.92 30.87 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 75.24 111.066 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.96 159.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 73.13 110.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.44 5.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 74.42 110.995 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.61 29.4 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 71.34 110.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.5 mt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 73.12 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 30.5 p-80 -176.07 145.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 75.02 109.614 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -90.82 172.84 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 63.21 109.285 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.869 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.1 m-20 -157.24 166.87 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.23 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' HD22 ' A' ' 37' ' ' LEU . 76.1 t -139.48 146.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 55.4 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 37' ' ' LEU . 2.0 t -141.22 136.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 62.42 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 38' ' ' ILE . 15.8 ptmt -81.82 -20.83 38.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 73.44 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.7 -69.16 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 73.1 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -136.2 24.89 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 65.12 109.303 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.545 ' C ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -146.03 129.04 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 63.51 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.869 HD21 ' HB3' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -65.55 120.93 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 72.32 109.309 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.774 HG21 ' NH2' ' A' ' 122' ' ' ARG . 7.0 mm -81.73 -67.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.51 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.713 ' O ' HD11 ' A' ' 37' ' ' LEU . 7.1 pt-20 -135.21 174.99 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.14 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.628 ' O ' HD23 ' A' ' 41' ' ' LEU . 14.1 ttmt -133.13 152.15 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 64.2 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -143.48 167.31 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.04 109.293 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.742 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.4 mp -108.39 150.62 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.35 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.8 pp -142.61 15.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 71.45 109.273 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -109.65 51.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 74.21 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.35 -46.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 75.3 110.334 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.31 -172.81 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 61.04 109.303 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -119.59 -1.31 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 63.34 109.275 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.807 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -164.43 125.0 2.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 75.24 110.973 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -121.32 -165.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 63.12 110.966 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 13' ' ' LEU . 3.3 mp -131.91 174.67 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 53.35 109.315 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.3 m-85 -163.65 109.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 75.14 111.016 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -163.15 -101.5 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 35.5 110.994 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 61' ' ' THR . 1.4 mtm180 -157.01 -42.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.22 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 111.26 20.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 64.31 109.281 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -75.01 -20.54 16.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 74.21 110.969 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' C ' HD23 ' A' ' 57' ' ' LEU . 18.8 t0 -60.43 -15.77 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 63.52 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -123.79 -46.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 75.02 109.275 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.471 ' SG ' HG13 ' A' ' 70' ' ' VAL . 57.4 m -92.7 167.53 11.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 63.13 108.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -32.8 13.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 75.54 109.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -107.18 -169.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 71.11 110.985 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.8 p -154.0 116.71 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 73.42 110.413 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG21 ' SG ' ' A' ' 67' ' ' CYS . 22.6 mt -67.55 -26.27 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 74.32 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.03 58.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.23 109.244 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -157.77 139.98 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 75.13 109.64 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -73.36 -37.22 66.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 72.53 110.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.778 ' CB ' ' HB1' ' A' ' 119' ' ' ALA . 38.7 m -53.0 -50.36 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 61.34 109.988 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.801 ' SG ' ' HB3' ' A' ' 119' ' ' ALA . 64.3 m -58.53 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.53 108.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m -139.84 168.84 18.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.04 109.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.539 ' NH1' HH21 ' A' ' 53' ' ' ARG . 0.8 OUTLIER -41.66 -49.75 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.3 110.284 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.63 ' CG1' HD23 ' A' ' 50' ' ' LEU . 1.5 t -125.64 64.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.44 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.3 -50.93 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.12 109.59 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.24 -169.33 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 51.45 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -153.68 151.49 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 42.34 109.26 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.911 HD11 HG11 ' A' ' 83' ' ' VAL . 10.3 tt -103.42 155.1 18.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 53.21 109.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.661 HG11 ' CG ' ' A' ' 17' ' ' PRO . 86.2 t -150.24 123.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 71.14 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.615 ' CE2' ' HA ' ' A' ' 23' ' ' PRO . 56.6 t80 -88.48 109.51 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 73.13 111.033 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.796 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -63.16 154.36 31.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 71.42 109.554 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HA2' ' A' ' 21' ' ' GLY . 5.4 ptmt -113.51 -42.57 3.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 73.44 109.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.428 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 9.6 m-70 -73.34 -12.13 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 73.45 109.636 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 70.3 mt -115.64 -27.25 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 73.54 109.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 38.02 2.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 74.12 109.313 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -133.24 -165.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 64.24 110.329 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.911 HG11 HD11 ' A' ' 74' ' ' LEU . 49.0 t -119.94 166.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 64.34 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.511 ' N ' HG12 ' A' ' 83' ' ' VAL . 18.4 m-85 -146.19 156.06 43.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 72.34 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.86 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -128.43 108.75 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 75.44 109.268 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.3 107.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.02 109.302 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.769 ' OD2' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -68.97 72.98 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 64.24 109.242 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' ASN . 18.0 mt -49.85 86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 63.42 109.291 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 37.62 45.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.35 109.324 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.6 t -48.61 135.18 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 62.22 109.988 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -35.16 -48.89 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 73.45 110.386 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.833 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.3 OUTLIER -114.28 -48.9 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 63.32 109.596 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.31 173.88 17.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 70.1 111.022 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.411 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 1.7 m -118.17 156.49 28.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 73.21 110.351 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 9.9 m-85 -138.05 162.22 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 55.01 110.947 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD11 ' OG ' ' A' ' 113' ' ' SER . 10.3 tp -121.27 62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 74.25 109.261 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 90.82 -67.65 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 63.13 111.057 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.502 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.1 p-80 -137.0 11.78 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 74.42 109.602 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 38.0 mt -118.97 160.92 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 73.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -122.5 147.85 45.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.33 110.343 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -112.73 157.23 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 71.13 109.282 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.43 154.49 68.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.24 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.61 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.05 58.73 5.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.497 1.788 . . . . 74.34 110.995 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 2.9 m-70 164.62 -45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.34 109.611 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -74.91 126.24 88.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 75.14 109.336 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.32 42.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 72.34 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.847 ' HB3' HD13 ' A' ' 101' ' ' LEU . 25.4 tp60 -131.89 112.51 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.43 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.751 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -41.9 163.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 75.24 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.751 HD13 ' O ' ' A' ' 108' ' ' GLN . 12.5 mm -141.57 110.43 6.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 53.52 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.2 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.799 . . . . 51.12 111.012 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 128' ' ' GLU . 34.1 mm -69.28 152.32 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 72.02 109.295 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' LEU . 25.8 t70 52.41 20.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 61.13 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.66 ' OG ' HD11 ' A' ' 96' ' ' LEU . 15.0 t -72.29 -172.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 73.21 109.979 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.506 ' N ' ' OG ' ' A' ' 113' ' ' SER . 80.1 m -154.46 123.49 6.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 62.4 110.384 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.688 HG23 ' N ' ' A' ' 116' ' ' SER . 2.0 m -117.84 178.71 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 70.35 109.257 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.688 ' N ' HG23 ' A' ' 115' ' ' VAL . 44.6 p -167.27 115.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 64.43 109.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.86 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.2 m-85 -77.58 153.45 33.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 54.45 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.18 -70.26 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.135 . . . . 64.15 111.042 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.801 ' HB3' ' SG ' ' A' ' 67' ' ' CYS . . . -45.13 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 72.34 109.324 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 121' ' ' THR . 1.5 t -60.69 172.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.41 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.403 ' N ' ' OG ' ' A' ' 120' ' ' SER . 18.9 p -127.57 9.98 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 74.45 110.397 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.774 ' NH2' HG21 ' A' ' 38' ' ' ILE . 16.8 mmt180 -56.1 -179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 74.42 110.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -139.28 64.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.01 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.636 ' HB2' HG22 ' A' ' 115' ' ' VAL . 8.8 m-30 -46.07 115.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.22 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -109.79 96.43 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 62.03 110.397 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 111' ' ' ILE . 1.6 tm? -67.02 107.46 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 71.22 109.275 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -98.73 -173.34 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.13 110.317 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.687 ' HB2' HD12 ' A' ' 111' ' ' ILE . 4.3 tm-20 -155.13 105.55 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 64.21 110.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLU . 53.1 mttt -37.24 98.3 0.15 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.22 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.566 1.824 . . . . 63.44 110.974 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -63.48 136.53 57.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.54 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 74.14 110.39 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.455 0.169 . . . . 73.42 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.01 -11.11 19.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 72.42 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.65 51.8 11.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 74.44 109.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.05 88.94 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 73.33 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -109.63 -58.57 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 70.52 109.281 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -75.52 141.41 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 64.03 109.334 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.4 p -128.13 46.99 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 71.1 110.001 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.86 -179.88 52.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 63.22 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.5 166.75 8.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 61.21 109.996 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 p -114.19 159.3 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 72.25 109.994 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.94 164.34 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 65.11 109.317 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 74.45 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.804 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -110.98 -28.66 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 73.4 109.295 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.668 ' CE1' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -171.99 167.88 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.32 111.033 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 8.1 t0 -135.26 124.31 24.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 63.32 109.313 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.9 p -72.08 140.32 82.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.14 108.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.98 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 73.12 111.023 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -107.6 -7.56 16.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 64.23 110.362 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.679 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.5 p-90 -93.65 -1.78 54.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.31 108.014 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.783 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -79.04 137.37 37.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.42 109.246 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.79 142.66 10.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.557 1.161 . . . . 73.35 111.002 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.692 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -47.07 118.93 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 72.23 109.307 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.98 158.48 42.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.2 Cg_endo -74.99 151.79 40.0 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 73.22 110.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.98 3.23 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 74.43 111.001 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 129' ' ' LYS . . . -176.71 33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 61.02 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' HD2' ' A' ' 24' ' ' PRO . 9.6 mt -130.14 166.12 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 74.52 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 38.0 p-80 -176.85 142.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.44 109.566 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' HZ ' ' A' ' 51' ' ' PHE . 6.2 tp -87.43 177.83 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.13 109.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.773 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -162.71 163.7 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 53.54 109.296 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.737 ' O ' HD22 ' A' ' 37' ' ' LEU . 97.5 t -133.31 145.49 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 63.45 109.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' ALA . 2.1 t -141.32 130.8 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.3 109.328 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HB3' HD11 ' A' ' 38' ' ' ILE . 11.8 ptmt -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.63 -62.26 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 73.23 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -135.87 22.68 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 72.32 109.286 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' HG13 ' A' ' 32' ' ' VAL . 13.0 ttpt -146.15 131.13 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 75.23 109.312 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 tm? -70.44 118.77 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 64.51 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.838 HG21 HH12 ' A' ' 122' ' ' ARG . 35.0 mm -78.91 -76.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 61.41 109.265 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.23 175.39 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 55.23 110.334 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -131.66 146.08 52.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.52 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -136.44 168.64 19.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 61.34 109.299 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.772 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.5 mp -110.39 147.41 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 44.43 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 27' ' ' LEU . 1.5 pp -139.91 14.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.21 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -107.7 47.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 73.32 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' HG22 ' A' ' 42' ' ' ILE . 1.1 mt-10 -132.91 -45.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 73.1 110.26 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.668 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -114.95 -173.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.54 109.278 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.783 ' HG2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.14 -4.27 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.1 109.278 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -162.6 124.25 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.02 110.966 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.668 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -117.76 -166.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 74.35 111.004 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 13' ' ' LEU . 3.6 mp -131.94 177.98 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.21 109.342 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.53 ' HZ ' HD23 ' A' ' 29' ' ' LEU . 2.3 m-85 -167.08 110.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 72.54 111.035 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -164.3 -100.82 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 62.33 110.996 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' THR . 1.6 mtm180 -157.49 -43.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 75.21 110.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.97 111.47 20.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 72.01 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 65.13 110.99 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' C ' HD23 ' A' ' 57' ' ' LEU . 21.4 t0 -59.67 -15.92 22.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 75.5 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -122.95 -48.07 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 70.32 109.306 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 46.7 m -92.67 164.99 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.14 108.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.65 -33.25 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 72.11 109.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.869 ' CE2' HD13 ' A' ' 41' ' ' LEU . 6.4 m-30 -106.79 -170.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 74.4 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.61 119.52 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 63.34 110.435 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 21.2 mt -68.47 -27.19 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 62.51 109.268 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 20.1 t0 64.29 55.67 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 75.34 109.345 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -153.29 136.36 15.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 72.04 109.61 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.72 -40.84 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 75.22 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.736 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 1.4 m -50.61 -54.77 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.34 110.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' SER . 68.1 m -54.27 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 75.54 108.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -136.39 170.55 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 62.14 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.5 mpt_? -42.4 -50.0 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.22 110.32 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 50' ' ' LEU . 1.9 t -124.01 64.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CE1' ' HG ' ' A' ' 90' ' ' SER . 5.6 t60 -46.45 -48.78 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.02 109.617 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 85' ' ' LEU . . . -159.43 -173.28 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 62.4 109.302 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 50' ' ' LEU . . . -149.44 143.4 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 55.43 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 83' ' ' VAL . 5.1 tt -98.64 151.26 20.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.33 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.635 ' N ' HD23 ' A' ' 74' ' ' LEU . 95.7 t -146.2 129.95 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.2 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 23' ' ' PRO . 57.7 t80 -94.47 110.7 22.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 64.34 111.012 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.679 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.6 t-80 -60.26 151.62 26.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 71.2 109.636 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' TRP . 16.6 ptmt -110.91 -43.0 3.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 16.6 m-70 -73.2 -12.3 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 70.32 109.554 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 82' ' ' ARG . 66.0 mt -116.33 -27.0 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 72.3 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.04 37.31 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 72.53 109.282 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -130.11 -169.61 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 73.32 110.336 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 74' ' ' LEU . 94.7 t -114.78 163.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 62.12 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 18.2 m-85 -146.78 153.74 40.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 71.53 111.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.2 OUTLIER -125.31 108.62 11.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 72.33 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -93.15 109.12 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.15 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 103' ' ' PRO . 8.6 t70 -70.94 89.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 74.43 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 89' ' ' ASN . 17.6 mt -65.87 81.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 72.43 109.273 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER 32.09 52.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 73.41 109.285 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.573 ' HG ' ' CE1' ' A' ' 71' ' ' HIS . 5.8 t -55.08 141.38 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 71.24 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.916 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -38.76 -41.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.12 110.389 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 91' ' ' THR . 2.2 m-70 -112.6 -70.62 0.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 72.14 109.594 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.6 170.45 28.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 73.51 111.014 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 23.1 m -119.23 148.52 43.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 74.21 110.386 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 5.0 m-85 -131.14 172.53 12.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 65.34 110.99 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 114' ' ' THR . 19.1 tp -134.49 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 64.15 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 98' ' ' HIS . . . 63.77 78.23 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 33.01 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.509 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.1 OUTLIER 78.53 -0.99 2.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 74.34 109.61 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.598 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 71.4 mt -109.45 144.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.32 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.91 144.63 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 75.13 110.291 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 ' HG2' ' A' ' 107' ' ' GLN . 0.5 OUTLIER -119.64 154.04 34.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 72.53 109.304 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 105' ' ' LYS . 26.1 mt-10 -82.5 151.26 65.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 74.45 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.577 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 18.1 Cg_endo -75.04 56.0 4.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 62.13 110.96 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 4.4 m-70 168.63 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 71.54 109.623 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.414 ' CE ' ' HG3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -80.58 125.74 79.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 73.24 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.8 38.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 71.54 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' HD22 ' A' ' 101' ' ' LEU . 29.2 tp60 -142.03 111.52 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 73.12 110.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.629 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.5 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 74.31 110.32 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.2 mm -139.65 110.68 7.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 65.54 109.318 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 169.88 21.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 75.52 110.982 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 126' ' ' LEU . 21.4 mm -73.74 147.53 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 53.23 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.49 17.42 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 72.13 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 96' ' ' LEU . 30.1 t -71.67 -170.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 75.33 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.837 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 54.9 m -155.17 132.82 11.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.1 110.452 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -132.36 148.52 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.11 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 p -136.35 112.84 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 63.13 110.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.781 ' CE1' HD21 ' A' ' 85' ' ' LEU . 3.4 m-85 -67.34 -173.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 73.11 111.053 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -56.66 -75.53 0.25 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.127 . . . . 54.42 110.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -76.4 -74.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 74.44 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 119' ' ' ALA . 1.0 OUTLIER -34.12 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 61.53 110.022 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.3 p -73.33 -3.03 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 75.44 110.391 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.838 HH12 HG21 ' A' ' 38' ' ' ILE . 16.2 mmt85 -47.37 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 53.51 110.316 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.837 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -134.76 62.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.13 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.9 m-30 -36.83 111.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 74.41 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.5 m -101.99 103.41 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 65.34 110.401 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.5 tm? -74.36 108.25 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 70.43 109.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -98.72 -170.9 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.41 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 14.0 tt0 -161.4 105.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 64.43 110.25 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLU . 34.3 mtpt -38.02 98.86 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 75.23 109.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -75.03 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 62.15 110.965 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -61.08 137.26 58.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 73.45 110.273 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.51 110.375 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 70.51 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.97 114.63 9.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.31 109.294 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.63 121.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 70.43 109.309 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.71 51.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 73.34 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 m -51.91 122.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 65.42 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -172.48 138.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.42 109.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -170.74 171.83 6.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 63.05 110.046 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 -148.25 4.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 52.34 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -102.2 164.58 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 61.54 110.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 m -171.93 -177.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 64.42 110.009 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.4 mm? -59.95 160.92 13.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 73.53 109.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 74.33 111.022 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.819 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -111.85 -29.83 7.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 73.21 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.4 t80 -167.94 154.23 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 54.02 111.015 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.52 113.39 19.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 41.41 109.311 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 48' ' ' TYR . 13.1 p -62.65 141.86 96.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 74.2 108.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.55 ' CG ' HG11 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -161.77 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 62.15 111.018 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -112.59 -5.24 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.35 110.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.68 ' CE3' ' CD2' ' A' ' 77' ' ' HIS . 3.1 p-90 -94.07 -2.87 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 74.34 107.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.69 ' HB1' ' CG ' ' A' ' 47' ' ' LYS . . . -74.64 138.45 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.22 109.328 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.9 141.04 9.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 53.22 110.987 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.6 118.1 7.9 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.475 0.75 . . . . 63.03 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 155.63 43.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 51.13 111.018 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.701 ' HD2' HD11 ' A' ' 27' ' ' LEU . 18.4 Cg_endo -74.95 154.64 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 71.12 111.023 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 70.4 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.44 31.44 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 70.1 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.701 HD11 ' HD2' ' A' ' 24' ' ' PRO . 5.7 mt -130.93 165.26 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 74.45 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 127' ' ' ARG . 39.7 p-80 -176.89 143.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 71.41 109.587 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.779 HD13 ' H ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -86.04 173.2 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 73.03 109.328 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.779 ' H ' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -160.55 164.44 31.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 74.42 109.266 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.732 ' O ' HD22 ' A' ' 37' ' ' LEU . 92.3 t -136.7 147.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 63.12 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 36' ' ' LYS . 1.9 t -142.66 129.29 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 64.53 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.806 ' HB3' HD11 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -72.04 -18.4 61.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 74.34 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.04 -61.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 64.13 110.988 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.0 21.36 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 75.1 109.322 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' HG13 ' A' ' 32' ' ' VAL . 12.7 ttpt -144.89 129.93 18.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 74.01 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 31' ' ' VAL . 1.6 tm? -68.97 119.0 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 70.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 ' HB3' ' A' ' 33' ' ' LYS . 35.4 mm -77.08 -75.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 74.45 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD11 ' A' ' 37' ' ' LEU . 12.0 pt-20 -130.41 -174.37 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 72.01 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -142.0 145.84 34.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.332 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -137.37 167.12 22.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 74.3 109.321 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 41' ' ' LEU . 1.3 mp -105.14 150.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 55.41 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 29' ' ' LEU . 1.1 pt -141.45 15.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 74.11 109.332 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -111.65 43.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 72.31 109.275 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.35 -43.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 73.44 110.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HZ3' ' HD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -118.92 -173.49 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 71.11 109.322 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.69 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -117.63 -4.02 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.21 109.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -161.9 124.85 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.11 110.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.627 ' HD2' ' HZ3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -119.09 -169.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 64.04 111.003 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD21 HD23 ' A' ' 13' ' ' LEU . 3.3 mp -127.33 178.15 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.32 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 3.5 m-85 -168.2 106.36 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 71.14 110.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG ' ' A' ' 53' ' ' ARG . . . -161.82 -100.33 0.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 72.51 111.002 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.601 ' O ' HG22 ' A' ' 61' ' ' THR . 0.7 OUTLIER -157.85 -43.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 74.01 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.12 111.2 16.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -74.95 -20.76 16.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 74.54 110.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -60.75 -14.69 22.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 74.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -123.87 -46.56 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 71.22 109.285 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' LEU . 31.1 m -94.36 164.81 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 60.22 108.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 -31.24 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 109.345 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 41' ' ' LEU . 7.3 m-30 -107.44 -169.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.25 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 53' ' ' ARG . 1.6 p -154.88 117.98 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.13 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 120' ' ' SER . 13.4 mt -68.22 -27.36 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 63.53 109.244 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 31.6 t70 63.18 61.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 64.41 109.256 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.08 136.27 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 61.33 109.616 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -31.65 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.12 110.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 119' ' ' ALA . 3.4 m -61.64 -51.88 66.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 74.41 110.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.0 m -55.24 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 71.32 108.298 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 m -133.61 169.7 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.44 110.009 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -41.9 -49.77 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 70.35 110.264 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 HD23 ' A' ' 50' ' ' LEU . 1.7 t -124.47 63.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 72.02 109.307 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' CD2' ' CD2' ' A' ' 117' ' ' PHE . 3.9 t60 -46.09 -43.84 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 75.11 109.586 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -165.06 -170.98 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 74.32 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 49' ' ' TYR . . . -155.02 144.85 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.3 109.338 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.892 HD11 HG11 ' A' ' 83' ' ' VAL . 8.5 tt -95.79 153.41 17.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 73.12 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' N ' HD23 ' A' ' 74' ' ' LEU . 77.1 t -148.91 119.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 73.14 109.295 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' A' ' 27' ' ' LEU . 46.5 t80 -85.22 106.38 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.01 110.972 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' ' CE3' ' A' ' 19' ' ' TRP . 2.5 t-80 -57.14 154.12 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.53 109.609 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -113.58 -43.15 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 63.03 109.296 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' ' 19' ' ' TRP . 15.0 m-70 -72.8 -13.04 61.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 72.43 109.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 77' ' ' HIS . 66.6 mt -114.32 -30.08 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 43.24 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm 72.28 33.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 61.32 109.263 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -128.98 -168.58 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 51.2 110.274 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.892 HG11 HD11 ' A' ' 74' ' ' LEU . 60.2 t -116.45 162.02 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 74.04 109.317 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CD2' ' N ' ' A' ' 108' ' ' GLN . 16.2 m-85 -144.5 154.66 43.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 71.4 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD21 ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -126.48 107.68 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.32 109.325 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -92.01 107.19 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.13 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.799 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -68.66 73.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 70.32 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 70' ' ' VAL . 22.4 mt -49.59 86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.14 109.333 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 36.52 48.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 75.4 109.269 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.4 t -50.99 135.26 25.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 65.2 110.009 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.818 HG23 ' CD2' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -36.61 -48.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 70.3 110.372 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.818 ' CD2' HG23 ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.26 -59.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 74.11 109.59 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' GLY . . . 155.64 167.26 16.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 51.13 111.002 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.3 m -112.82 154.26 26.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 55.01 110.369 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 99' ' ' ILE . 8.8 m-85 -137.94 160.91 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.54 111.018 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD11 ' OG ' ' A' ' 113' ' ' SER . 11.1 tp -115.97 54.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 73.11 109.253 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 93.66 -64.71 1.81 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.143 . . . . 51.32 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.506 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 1.9 p-80 -135.65 11.19 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 63.1 109.604 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' PHE . 13.7 mt -120.28 159.99 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 74.21 109.27 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.768 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -122.17 147.42 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 53.32 110.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.927 HD13 ' HB3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -113.77 160.25 18.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 52.25 109.309 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.12 155.06 57.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 71.2 110.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.0 56.85 4.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 71.03 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 103' ' ' PRO . 3.4 m-70 164.32 -34.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.34 109.594 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 6.0 mtpp -83.14 125.35 74.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 55.51 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 152.75 40.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 52.2 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.927 ' HB3' HD13 ' A' ' 101' ' ' LEU . 26.8 tp60 -131.09 111.73 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 65.32 110.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -42.11 163.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 71.33 110.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 108' ' ' GLN . 5.7 mm -139.77 109.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 50.32 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 113' ' ' SER . 18.4 Cg_endo -74.98 162.78 36.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 73.23 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.58 149.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 63.11 109.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.49 19.23 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 72.53 109.291 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.755 ' OG ' HD11 ' A' ' 96' ' ' LEU . 29.1 t -73.95 -169.64 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 62.45 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.599 ' CG2' ' HB1' ' A' ' 123' ' ' ALA . 84.1 m -155.16 125.58 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.41 110.461 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' A' ' 124' ' ' TYR . 1.5 m -123.78 154.39 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 75.21 109.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.3 p -141.49 112.48 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 73.33 109.992 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.877 ' CE1' HD21 ' A' ' 85' ' ' LEU . 4.0 m-85 -69.98 166.09 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.42 111.015 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' GLY . . . -38.59 -77.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 64.43 111.02 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 66' ' ' SER . . . -75.41 -70.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 63.11 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.451 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -35.89 97.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 71.52 109.997 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' ALA . 46.2 p -70.0 -5.94 29.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 65.44 110.457 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 31' ' ' VAL . 17.5 mmt180 -45.34 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 71.45 110.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.599 ' HB1' ' CG2' ' A' ' 114' ' ' THR . . . -131.02 60.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 65.33 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HG22 ' A' ' 115' ' ' VAL . 10.2 m-30 -37.67 111.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 72.15 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -103.33 94.44 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 71.42 110.37 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 126' ' ' LEU . 1.4 tm? -66.91 109.82 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 71.43 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -99.66 -174.24 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.15 110.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.593 ' HG3' HD23 ' A' ' 27' ' ' LEU . 18.7 tt0 -156.79 104.86 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.45 110.365 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' GLU . 59.1 mttt -37.08 98.1 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 55.13 109.264 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' GLU . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 44.3 110.96 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 149.53 24.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 75.14 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.55 110.382 179.99 . . . . . . . . 0 0 . 1 stop_ save_