data_2dhy_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 2dhy _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 ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.56 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CB ' HG23 ' A' ' 37' ' ' ILE . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG23 ' CB ' ' A' ' 25' ' ' PHE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG13 ' CB ' ' A' ' 54' ' ' GLN . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 48' ' ' VAL . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' CB ' HG13 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 51' ' ' THR . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.432 ' CE ' HD23 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 51' ' ' THR . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' CG2' ' A' ' 51' ' ' THR . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.3 m-80 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ILE . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' CE ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 52' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.509 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CB ' HG21 ' A' ' 37' ' ' ILE . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.509 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ASP . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.471 HG21 ' CB ' ' A' ' 25' ' ' PHE . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ASN . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.464 ' CB ' HD22 ' A' ' 41' ' ' LEU . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' HG22 ' A' ' 37' ' ' ILE . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' A' ' 25' ' ' PHE . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 50' ' ' ALA . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CB ' HG21 ' A' ' 37' ' ' ILE . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.443 ' CE ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ASP . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.476 HG21 ' CB ' ' A' ' 25' ' ' PHE . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.1 m-80 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 ' CG2' HD23 ' A' ' 41' ' ' LEU . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' HD11 ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' CE ' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 52' ' ' ILE . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.501 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CB ' HG23 ' A' ' 37' ' ' ILE . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 33' ' ' ASP . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG11 ' ND2' ' A' ' 44' ' ' ASN . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 51' ' ' THR . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HD21 ' A' ' 41' ' ' LEU . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' ILE . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 52' ' ' ILE . 4.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.464 ' CB ' HG23 ' A' ' 37' ' ' ILE . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 55' ' ' LEU . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 ' CB ' HD21 ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' CD1' HG11 ' A' ' 48' ' ' VAL . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ILE . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 40' ' ' VAL . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CB ' HG23 ' A' ' 37' ' ' ILE . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ASP . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 25' ' ' PHE . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 51' ' ' THR . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.467 ' CG2' HD21 ' A' ' 41' ' ' LEU . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CG2' HD11 ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD11 ' CG2' ' A' ' 52' ' ' ILE . 5.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.497 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CB ' HG23 ' A' ' 37' ' ' ILE . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.497 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ASP . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 25' ' ' PHE . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASN . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 51' ' ' THR . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 41' ' ' LEU . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 40' ' ' VAL . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD13 ' CG2' ' A' ' 52' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG23 ' A' ' 37' ' ' ILE . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.443 ' CE ' HD23 ' A' ' 55' ' ' LEU . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 33' ' ' ASP . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' OE1' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 51' ' ' THR . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.67 HD22 ' NE2' ' A' ' 54' ' ' GLN . 11.2 m-80 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 41' ' ' LEU . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' HD22 ' A' ' 44' ' ' ASN . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' CE ' ' A' ' 32' ' ' MET . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 52' ' ' ILE . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.495 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CG ' HG23 ' A' ' 37' ' ' ILE . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.479 HG23 ' CG ' ' A' ' 25' ' ' PHE . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 51' ' ' THR . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' VAL . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CB ' HG22 ' A' ' 37' ' ' ILE . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 33' ' ' ASP . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 ' CB ' ' A' ' 25' ' ' PHE . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ASN . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 51' ' ' THR . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 52' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.563 ' HE1' ' CD1' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CB ' HG21 ' A' ' 37' ' ' ILE . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HE1' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CB ' ' A' ' 25' ' ' PHE . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 51' ' ' THR . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 41' ' ' LEU . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 52' ' ' ILE . 7.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.477 ' HE3' ' CE1' ' A' ' 34' ' ' TYR . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.487 ' CB ' HG23 ' A' ' 37' ' ' ILE . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CE1' ' HE3' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.487 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG2' HD21 ' A' ' 55' ' ' LEU . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' CG2' ' A' ' 51' ' ' THR . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.465 ' CG2' HD21 ' A' ' 41' ' ' LEU . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ILE . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 40' ' ' VAL . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 52' ' ' ILE . 11.9 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CB ' HG22 ' A' ' 37' ' ' ILE . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' CB ' ' A' ' 33' ' ' ASP . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' CG ' ' HE1' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' OE1' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 ' CG2' ' A' ' 51' ' ' THR . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.4 m-80 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.428 ' CG2' HD23 ' A' ' 41' ' ' LEU . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 48' ' ' VAL . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' OE1' ' CG1' ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.423 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CB ' HG21 ' A' ' 37' ' ' ILE . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 33' ' ' ASP . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' PHE . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 55' ' ' LEU . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' A' ' 51' ' ' THR . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.445 ' CG2' HD22 ' A' ' 41' ' ' LEU . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.457 HG12 ' CE ' ' A' ' 28' ' ' MET . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 40' ' ' VAL . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 52' ' ' ILE . 7.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG21 ' A' ' 37' ' ' ILE . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.462 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.454 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 25' ' ' PHE . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' CG2' HD23 ' A' ' 55' ' ' LEU . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' SER . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 41' ' ' LEU . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 40' ' ' VAL . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 52' ' ' ILE . 9.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.564 ' HE1' ' CD1' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.487 ' CZ ' HG22 ' A' ' 51' ' ' THR . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' ' HE1' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 25' ' ' PHE . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 51' ' ' THR . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.487 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 33' ' ' ASP . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 51' ' ' THR . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.5 m-80 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.456 ' CB ' HD23 ' A' ' 41' ' ' LEU . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 34' ' ' TYR . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.512 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' ' HE3' ' A' ' 22' ' ' MET . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' ASP . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' ND2' ' A' ' 44' ' ' ASN . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.4 m-80 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 41' ' ' LEU . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 95.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.033 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -144.62 138.92 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.02 -61.97 3.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 117.21 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.84 82.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 174.86 20.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 153.57 45.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.79 19.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 97.12 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -79.54 164.29 24.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.29 98.42 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.86 -52.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 39.72 46.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -59.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.09 165.79 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.91 118.1 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -116.44 -49.7 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -54.64 -56.53 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.32 -49.41 72.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . -46.51 -60.47 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.56 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CB ' HG23 ' A' ' 37' ' ' ILE . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG23 ' CB ' ' A' ' 25' ' ' PHE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG13 ' CB ' ' A' ' 54' ' ' GLN . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 48' ' ' VAL . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' CB ' HG13 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.31 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 74.6 mt-30 -54.19 -54.36 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mtt -39.55 -50.9 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.25 -40.91 94.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.34 -66.05 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.9 140.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.89 106.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.85 -146.31 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.67 43.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -89.15 -59.31 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.57 145.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 45.6 88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 56.01 168.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.76 109.88 1.63 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 67.98 143.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.83 61.14 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -126.15 155.33 73.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.88 23.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.86 57.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -151.53 155.66 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.85 43.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -63.73 154.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -134.46 138.56 44.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER 79.82 152.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 69.36 166.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.27 171.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 33.9 p90 -120.58 53.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.39 -53.02 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.4 tt0 -45.55 -58.85 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.25 -57.87 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 51' ' ' THR . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.432 ' CE ' HD23 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 51' ' ' THR . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' CG2' ' A' ' 51' ' ' THR . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.3 m-80 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ILE . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' CE ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 HD11 ' CG2' ' A' ' 52' ' ' ILE . 7.4 mt -48.03 -64.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' LEU . 59.4 mt-30 -56.32 -54.55 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.94 -49.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' GLN . 44.7 mt -53.69 -66.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.83 75.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -166.65 -58.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.08 -152.73 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.75 3.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.3 p -103.13 -58.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -132.82 161.17 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -75.71 120.94 21.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -105.82 139.17 40.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.73 -163.34 38.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -172.19 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.03 116.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -158.67 8.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.19 157.47 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 136.12 20.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.808 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.78 105.36 15.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.92 -58.59 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -50.86 118.13 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t 55.26 96.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -51.31 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.01 138.71 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.58 -71.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.17 139.66 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.26 -58.53 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.55 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.37 -51.97 65.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.91 -57.85 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.509 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CB ' HG21 ' A' ' 37' ' ' ILE . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.509 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ASP . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.471 HG21 ' CB ' ' A' ' 25' ' ' PHE . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' ASN . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.464 ' CB ' HD22 ' A' ' 41' ' ' LEU . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.32 -61.51 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.34 -54.89 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 mtt -40.76 -42.34 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -44.69 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' GLN . 80.6 mt -55.85 -59.04 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 65.21 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 t -69.59 98.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.86 -153.13 11.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.08 36.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.5 p -122.32 128.93 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -83.78 -58.67 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 -61.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -175.94 121.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 120.01 5.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.61 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 -56.71 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 -83.21 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 160.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.4 -61.71 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -129.97 127.08 39.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -143.21 162.28 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.4 -46.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.89 139.56 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.89 -59.72 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 58.6 172.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.26 156.99 11.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 31.1 p90 -113.99 58.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -70.29 -58.9 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.94 -50.56 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.19 -53.28 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' HG22 ' A' ' 37' ' ' ILE . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' A' ' 25' ' ' PHE . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' C ' ' A' ' 50' ' ' ALA . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.83 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LEU . 9.5 mt-30 -55.25 -51.68 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mtt -40.3 -45.68 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.12 -37.71 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 46.2 mt -59.3 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.17 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.14 142.53 25.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.47 -150.39 9.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.44 4.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -151.84 169.17 22.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -59.76 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -173.14 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -154.86 -57.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.46 104.42 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.09 118.25 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.71 132.9 46.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.048 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 131.88 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 160.81 12.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 110.244 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.32 -61.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -78.86 130.88 36.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -143.44 104.04 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.77 128.31 70.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -53.58 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 69.53 -60.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 50.24 -177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.45 114.15 26.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -112.76 -53.35 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -44.77 -48.43 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.69 47.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CB ' HG21 ' A' ' 37' ' ' ILE . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.443 ' CE ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' ASP . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.476 HG21 ' CB ' ' A' ' 25' ' ' PHE . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ASN . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.1 m-80 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' CG2' HD23 ' A' ' 41' ' ' LEU . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' HD11 ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' CE ' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 52' ' ' ILE . 8.3 mt -58.98 -68.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 96.8 mt-30 -48.17 -61.22 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.5 mtp -38.39 -56.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.42 -41.06 96.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -59.81 -46.9 87.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -39.1 -61.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 t -57.7 -55.04 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.5 172.77 31.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.0 34.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -160.1 102.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -170.15 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 57.61 81.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m 47.86 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 -65.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -100.1 112.23 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.62 132.36 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -60.39 155.92 44.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.262 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.24 162.49 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' VAL . 28.9 mtp85 -39.74 -52.9 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.8 -67.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' ARG . 77.7 t -86.86 120.71 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.03 -56.88 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 129.72 33.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 171.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.26 168.38 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' HD11 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -157.46 -53.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -43.59 -43.58 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.67 -48.4 69.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.15 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.501 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CB ' HG23 ' A' ' 37' ' ' ILE . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 33' ' ' ASP . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG11 ' ND2' ' A' ' 44' ' ' ASN . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD11 ' CE1' ' A' ' 18' ' ' PHE . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HD21 ' A' ' 41' ' ' LEU . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' ILE . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 52' ' ' ILE . 4.8 mt -48.06 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 7.1 mt-30 -54.01 -51.94 62.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.8 mtt -40.95 -29.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.3 t-20 -103.51 -29.25 11.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.99 33.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -51.03 69.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 -60.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.59 -150.21 19.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.19 8.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -151.08 96.69 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.4 p -112.14 129.6 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -155.61 137.36 14.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.935 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -71.7 138.05 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.46 143.14 16.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -154.66 167.68 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 137.36 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -143.78 18.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 60.34 165.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.8 4.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.26 73.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 109.99 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.54 78.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -114.4 144.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.35 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.95 154.3 34.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.16 166.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.48 160.89 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.84 46.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.91 -52.84 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.14 -57.22 5.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.47 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.464 ' CB ' HG23 ' A' ' 37' ' ' ILE . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 55' ' ' LEU . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' CB ' HD21 ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' CD1' HG11 ' A' ' 48' ' ' VAL . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ILE . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 40' ' ' VAL . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mt -49.34 -62.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . 49.6 mt-30 -59.3 -53.41 58.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -40.1 -45.42 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.21 -41.84 73.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -53.27 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 125.79 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -56.47 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.91 -156.72 16.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.88 5.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -84.72 151.66 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -45.87 116.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.6 89.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 52.05 91.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.83 -144.06 18.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t 63.4 83.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -120.77 -59.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -134.01 160.31 69.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . . . -168.89 165.0 11.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -115.18 -57.38 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -152.08 89.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -147.9 -47.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 62.52 127.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -56.65 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 72.98 165.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER 57.46 166.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 2.1 t80 55.77 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 8.6 m-20 -40.58 -50.11 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.33 -45.94 92.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.98 51.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CB ' HG23 ' A' ' 37' ' ' ILE . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ASP . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 25' ' ' PHE . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 51' ' ' THR . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.467 ' CG2' HD21 ' A' ' 41' ' ' LEU . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CG2' HD11 ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD11 ' CG2' ' A' ' 52' ' ' ILE . 5.9 mt -51.18 -65.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 42.3 mt-30 -54.26 -52.66 60.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.08 -30.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.1 t-20 -103.35 -27.79 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.78 32.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' ASN . 7.7 mt-10 -115.44 109.11 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.33 81.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.27 153.67 16.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.8 30.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 t -146.78 -61.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.3 t -178.73 156.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 -80.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' GLY . 45.7 m 66.13 134.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 -76.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 41.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.33 151.75 30.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 111.29 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 62.26 157.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.35 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -49.63 145.12 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.56 104.02 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.16 -64.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -76.06 158.5 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -97.72 141.96 30.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.87 -71.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.46 166.84 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 17.2 p90 -151.43 62.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -77.38 -58.12 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -42.06 -50.85 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.07 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.497 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CB ' HG23 ' A' ' 37' ' ' ILE . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.497 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ASP . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 25' ' ' PHE . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASN . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 51' ' ' THR . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 41' ' ' LEU . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD21 ' CG2' ' A' ' 40' ' ' VAL . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD13 ' CG2' ' A' ' 52' ' ' ILE . 8.9 mt -55.92 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 60' ' ' LEU . 26.5 mt-30 -50.45 -56.22 12.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.1 mtp -39.05 -51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.98 -40.99 91.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' GLN . 27.8 mt -56.32 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.45 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.244 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t 44.22 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.47 -154.31 6.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t 62.2 108.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.7 t -111.69 -58.24 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.29 122.56 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.054 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -135.45 91.33 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.38 76.63 1.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -150.21 -59.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p 54.73 169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 105.14 1.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.6 148.74 0.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.39 42.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.14 -59.27 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.77 153.09 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.56 144.35 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.7 m -61.06 125.01 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -128.39 92.36 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -165.81 169.62 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.54 172.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.98 148.51 7.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 32.9 p90 -116.55 51.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -83.95 -39.39 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -53.9 -37.4 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG23 ' A' ' 37' ' ' ILE . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.443 ' CE ' HD23 ' A' ' 55' ' ' LEU . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 33' ' ' ASP . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' OE1' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 51' ' ' THR . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.67 HD22 ' NE2' ' A' ' 54' ' ' GLN . 11.2 m-80 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 41' ' ' LEU . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' HD22 ' A' ' 44' ' ' ASN . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' CE ' ' A' ' 32' ' ' MET . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 52' ' ' ILE . 4.2 mt -48.9 -60.73 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 1.1 mt-30 -61.54 -56.63 17.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mtt -38.55 -46.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.11 -43.45 74.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 57' ' ' GLN . 19.9 mt -50.51 -61.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.26 -62.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.9 t -117.8 -46.11 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.01 158.27 32.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.47 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -171.77 148.77 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.95 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.88 -59.79 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.92 149.2 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -100.02 165.44 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.73 29.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.9 79.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -144.51 127.85 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 178.23 19.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.0 163.27 43.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.18 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 81.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -159.14 120.69 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.08 166.35 6.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.3 73.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -90.76 129.93 36.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 61.38 140.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.05 18.31 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.05 153.87 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 4.5 t80 -102.75 -53.12 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.08 -48.53 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -65.07 -40.62 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -49.32 -50.74 38.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.495 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CG ' HG23 ' A' ' 37' ' ' ILE . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CE1' ' HE1' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.479 HG23 ' CG ' ' A' ' 25' ' ' PHE . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' VAL . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.58 -63.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.4 mt-30 -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mtt -46.25 -32.0 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -81.45 -34.78 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' GLN . 92.2 mt -62.5 -57.34 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 62.17 71.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 m -51.05 -53.21 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.26 163.03 11.86 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 69.03 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.6 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.97 160.77 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -87.98 -58.64 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -137.02 124.49 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.37 -169.98 24.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.59 103.49 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 96.32 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.4 -108.54 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.85 149.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.14 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.77 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 158.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.22 87.65 6.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.19 -62.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.99 59.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 128.99 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.28 -71.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.5 115.06 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.01 -55.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.94 -57.68 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -53.31 -51.63 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.08 -63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CB ' HG22 ' A' ' 37' ' ' ILE . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 33' ' ' ASP . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 ' CB ' ' A' ' 25' ' ' PHE . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' ASN . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 51' ' ' THR . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD12 ' CG2' ' A' ' 52' ' ' ILE . 6.3 mt -51.09 -65.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -51.96 -55.12 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 30.4 mtt -40.51 -48.99 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -76.92 -46.62 23.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -48.73 -57.31 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -80.2 101.16 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t 178.26 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.15 -145.63 4.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.24 31.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -179.77 -57.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.26 167.78 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 62.69 136.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -118.7 153.21 34.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.03 -160.4 12.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 63.27 121.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 42.69 86.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 -127.83 1.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.33 163.54 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.7 15.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 134.81 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.92 146.66 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.93 126.23 45.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 m -107.64 -45.85 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 65.4 125.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.73 153.84 30.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.59 -72.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -40.36 150.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 22' ' ' MET . 2.6 t80 -92.34 -51.31 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.69 -56.0 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -54.72 -52.35 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.22 -63.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.563 ' HE1' ' CD1' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CB ' HG21 ' A' ' 37' ' ' ILE . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HE1' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CB ' ' A' ' 25' ' ' PHE . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' ASN . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 51' ' ' THR . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 41' ' ' LEU . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 52' ' ' ILE . 7.2 mt -49.75 -66.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.7 mt-30 -54.24 -52.55 60.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtt -41.54 -40.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.15 -40.59 62.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 29.0 mt -60.16 -66.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 55.49 71.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 158.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.96 -174.43 19.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.98 3.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 118.11 22.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.2 m -118.75 152.4 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -147.49 163.77 35.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 p -110.66 136.46 49.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.57 154.34 25.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -144.72 128.07 16.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -102.39 146.01 28.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 121.22 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -105.53 154.62 39.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.58 43.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.55 120.81 25.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -55.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -42.76 -58.11 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.9 t 62.46 117.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 167.28 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.0 160.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.57 165.46 13.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.29 162.48 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -91.76 -63.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -46.1 -44.13 15.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.15 -49.07 66.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.42 -59.4 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.477 ' HE3' ' CE1' ' A' ' 34' ' ' TYR . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' CB ' HG23 ' A' ' 37' ' ' ILE . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CE1' ' HE3' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' ASP . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.487 HG23 ' CB ' ' A' ' 25' ' ' PHE . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG2' HD21 ' A' ' 55' ' ' LEU . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' CG2' ' A' ' 51' ' ' THR . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.465 ' CG2' HD21 ' A' ' 41' ' ' LEU . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ILE . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 40' ' ' VAL . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 52' ' ' ILE . 11.9 mt -57.56 -71.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LEU . 75.9 mt-30 -48.09 -58.67 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.453 ' HE1' ' CD2' ' A' ' 55' ' ' LEU . 33.2 mtp -37.68 -50.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -68.09 -42.52 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 23.2 mt -53.62 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -102.85 -58.22 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.39 157.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.46 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -127.69 -64.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -88.39 111.56 21.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 118.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m 62.34 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.23 109.61 2.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.71 123.33 48.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.64 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 -142.48 11.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -71.93 153.36 92.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.88 8.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.67 -65.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -137.85 124.2 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.8 97.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.45 -62.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 73.73 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 55.12 94.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.75 -65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -145.11 150.2 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.9 p90 -114.55 59.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.68 -55.41 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -43.97 -49.22 8.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.9 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CB ' HG22 ' A' ' 37' ' ' ILE . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' CB ' ' A' ' 33' ' ' ASP . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' CG ' ' HE1' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' OE1' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 ' CG2' ' A' ' 51' ' ' THR . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.4 m-80 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.428 ' CG2' HD23 ' A' ' 41' ' ' LEU . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 48' ' ' VAL . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' OE1' ' CG1' ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' HE3' ' A' ' 58' ' ' MET . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mt -45.04 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 17.6 mt-30 -54.5 -57.39 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.45 ' HE3' ' CD2' ' A' ' 55' ' ' LEU . 39.6 mtp -38.31 -46.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.95 -50.46 66.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' GLN . 1.0 OUTLIER -44.08 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 63.92 126.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.6 m 54.54 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.2 -145.88 13.32 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -146.06 -62.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 m 63.81 123.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -108.71 167.33 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -79.08 -58.63 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.55 176.29 46.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.09 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.36 147.28 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.49 -167.77 22.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -153.99 160.18 31.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.29 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.29 133.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 156.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -171.74 146.73 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.37 -23.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -58.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -177.98 111.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.34 147.77 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.83 130.49 36.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -147.62 -46.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.36 -46.52 55.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -60.7 -47.28 86.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.53 -52.82 12.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.423 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CB ' HG21 ' A' ' 37' ' ' ILE . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 33' ' ' ASP . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 25' ' ' PHE . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 55' ' ' LEU . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' A' ' 51' ' ' THR . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.445 ' CG2' HD22 ' A' ' 41' ' ' LEU . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.457 HG12 ' CE ' ' A' ' 28' ' ' MET . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 40' ' ' VAL . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 52' ' ' ILE . 7.1 mt -58.14 -68.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 60' ' ' LEU . 36.6 mt-30 -52.37 -42.16 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.419 ' CE ' HG23 ' A' ' 40' ' ' VAL . 1.4 mtm -51.45 -31.65 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -86.88 -21.61 26.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 57' ' ' GLN . 1.4 mt -90.97 -149.91 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.37 78.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -174.25 137.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.6 157.36 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.21 16.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 m -104.66 74.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -148.13 162.54 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.04 170.36 22.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -54.16 142.91 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.54 119.92 6.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.26 -58.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.9 129.2 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.71 165.37 17.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.73 74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -169.06 143.98 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -151.74 106.24 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.12 149.34 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -82.07 113.32 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 178.85 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 3.7 mm? -59.57 -86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER 82.7 141.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.348 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.85 58.09 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.07 -53.33 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -44.83 -47.48 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.22 -49.03 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HE2' ' CE1' ' A' ' 34' ' ' TYR . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG21 ' A' ' 37' ' ' ILE . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.462 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.454 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 25' ' ' PHE . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' CG2' HD23 ' A' ' 55' ' ' LEU . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' SER . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 41' ' ' LEU . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 40' ' ' VAL . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 52' ' ' ILE . 9.4 mt -57.61 -68.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.56 -46.12 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtm -49.27 -22.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.99 -30.77 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.84 -53.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.76 -48.85 65.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -119.64 97.61 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.71 122.16 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.23 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 164.9 22.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.27 92.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -76.43 108.02 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -125.66 163.02 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.55 -162.11 39.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.29 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -152.23 -53.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 -150.05 20.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.85 140.39 21.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.23 100.92 9.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 67.51 100.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.02 85.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.48 141.88 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.58 -54.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -169.2 151.89 4.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.76 155.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.91 164.59 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -108.69 -51.53 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.56 -53.25 48.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -55.17 -51.81 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.45 -62.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.564 ' HE1' ' CD1' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' CZ ' HG22 ' A' ' 51' ' ' THR . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' ' HE1' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 25' ' ' PHE . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 51' ' ' THR . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.487 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 ' CE ' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.03 -69.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.77 -37.51 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.1 mtt -62.59 -58.16 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -29.2 69.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.39 -61.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 54.24 99.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.338 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -73.48 159.98 32.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.28 -145.31 17.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -124.26 145.02 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.1 p -164.9 155.61 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.09 110.81 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -48.01 144.45 3.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 136.97 17.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -150.69 95.65 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.26 110.44 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.56 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.09 161.03 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 0.805 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.03 150.96 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 177.48 131.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -85.03 87.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -72.44 122.35 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 135.97 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -59.55 125.16 22.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.98 -177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' ASN . 49.0 mm-40 -117.82 -47.28 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 1.2 t80 57.36 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 3.9 m120 -39.39 -56.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -53.43 -44.08 68.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . -55.53 -46.36 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CD1' ' HE2' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 33' ' ' ASP . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 51' ' ' THR . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.5 m-80 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.456 ' CB ' HD23 ' A' ' 41' ' ' LEU . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' CD2' ' HE2' ' A' ' 58' ' ' MET . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -46.8 -63.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.68 -58.05 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.429 ' HE2' ' CD2' ' A' ' 55' ' ' LEU . 39.2 mtp -42.27 -55.68 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.91 64.2 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.22 112.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.81 157.51 27.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 162.36 37.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -123.9 142.61 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 p -120.57 -59.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -155.36 -56.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -50.89 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.57 116.05 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.39 94.97 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 166.55 4.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 58.91 156.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.73 5.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.76 99.53 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -149.53 98.52 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 49.76 71.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.66 146.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.96 89.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 131.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -165.58 134.57 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.16 -63.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -177.34 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.59 -61.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.7 -46.87 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.67 -62.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 34' ' ' TYR . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.512 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' ' HE3' ' A' ' 22' ' ' MET . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 33' ' ' ASP . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' ND2' ' A' ' 44' ' ' ASN . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.4 m-80 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' CG2' HD21 ' A' ' 41' ' ' LEU . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASP . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mt -47.05 -54.46 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' LEU . 28.5 mt-30 -64.12 -54.92 26.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtt -38.23 -36.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -85.96 -42.32 14.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -56.56 -52.51 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.32 72.98 9.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.21 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.96 27.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t 62.52 158.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -125.56 136.4 53.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.552 ' CE ' ' CE1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HE2' HD21 ' A' ' 41' ' ' LEU . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' ' CE ' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' HE1' ' A' ' 22' ' ' MET . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' ILE . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 41' ' ' LEU . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 56' ' ' LEU . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' ILE . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HG11 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.724 ' HE2' HD21 ' A' ' 41' ' ' LEU . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 ' HE3' ' A' ' 22' ' ' MET . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.724 HD21 ' HE2' ' A' ' 25' ' ' PHE . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 7.2 m120 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.602 HD22 ' SD ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.579 HD12 HG22 ' A' ' 52' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.557 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 40' ' ' VAL . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.587 HG22 HD12 ' A' ' 56' ' ' LEU . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 52' ' ' ILE . 4.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 51' ' ' THR . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 40' ' ' VAL . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 52' ' ' ILE . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 40' ' ' VAL . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 56' ' ' LEU . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 40' ' ' VAL . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 52' ' ' ILE . 4.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.537 HD23 ' OG1' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 5.5 m120 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HB ' ' A' ' 40' ' ' VAL . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.648 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.681 ' HB ' HG23 ' A' ' 51' ' ' THR . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.681 HG23 ' HB ' ' A' ' 40' ' ' VAL . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.693 HG22 HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HB2' HG11 ' A' ' 40' ' ' VAL . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 52' ' ' ILE . 4.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.499 ' SD ' HD22 ' A' ' 55' ' ' LEU . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.59 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.598 HG21 ' CD2' ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 56' ' ' LEU . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 32' ' ' MET . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 52' ' ' ILE . 5.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.515 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.711 ' CE2' HD21 ' A' ' 41' ' ' LEU . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.665 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.515 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD21 ' CE2' ' A' ' 25' ' ' PHE . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB ' ' A' ' 40' ' ' VAL . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.669 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' A' ' 32' ' ' MET . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE2' HD21 ' A' ' 41' ' ' LEU . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.585 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD21 ' CE2' ' A' ' 25' ' ' PHE . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 HG23 ' HB ' ' A' ' 40' ' ' VAL . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.711 HG22 ' CD1' ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 ' HG2' ' A' ' 32' ' ' MET . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.711 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 25' ' ' PHE . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.587 HG23 ' HB ' ' A' ' 40' ' ' VAL . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.887 HG22 HD12 ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.589 ' CD ' HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.887 HD12 HG22 ' A' ' 52' ' ' ILE . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.491 ' HG2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 32' ' ' MET . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' CD2' HG21 ' A' ' 51' ' ' THR . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.601 HG21 ' CD2' ' A' ' 41' ' ' LEU . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 56' ' ' LEU . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 HG21 ' A' ' 40' ' ' VAL . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 HG22 ' A' ' 52' ' ' ILE . 3.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.762 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 25' ' ' PHE . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.496 ' OG1' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.58 HG22 ' CD1' ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 56' ' ' LEU . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 32' ' ' MET . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 53' ' ' ASP . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.446 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD21 ' HE2' ' A' ' 25' ' ' PHE . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 40' ' ' VAL . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 32' ' ' MET . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.476 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 41' ' ' LEU . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 25' ' ' PHE . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.602 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 40' ' ' VAL . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CB ' HG11 ' A' ' 40' ' ' VAL . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 52' ' ' ILE . 11.9 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 41' ' ' LEU . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.686 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 25' ' ' PHE . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.0 m120 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HB1' ' ND2' ' A' ' 44' ' ' ASN . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 40' ' ' VAL . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 56' ' ' LEU . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.583 ' CD ' HG13 ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 40' ' ' VAL . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 40' ' ' VAL . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 56' ' ' LEU . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 32' ' ' MET . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 41' ' ' LEU . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG23 ' A' ' 51' ' ' THR . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' HG21 ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 44' ' ' ASN . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.606 HG22 ' CD1' ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.689 ' HA ' HD12 ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 53' ' ' ASP . 9.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.712 ' HE2' HD21 ' A' ' 41' ' ' LEU . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 25' ' ' PHE . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 52' ' ' ILE . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 40' ' ' VAL . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 56' ' ' LEU . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CB ' HG11 ' A' ' 40' ' ' VAL . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 52' ' ' ILE . 5.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.676 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 7.1 m120 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 40' ' ' VAL . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 56' ' ' LEU . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 52' ' ' ILE . 6.0 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.402 ' CE ' ' CG ' ' A' ' 38' ' ' GLU . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.513 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE2' ' OE2' ' A' ' 38' ' ' GLU . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.8 m120 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB ' ' A' ' 40' ' ' VAL . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.463 HG22 HD12 ' A' ' 56' ' ' LEU . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 40' ' ' VAL . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 52' ' ' ILE . 3.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 95.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.033 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -144.62 138.92 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.02 -61.97 3.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 117.21 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.84 82.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 174.86 20.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 153.57 45.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.79 19.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 97.12 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -79.54 164.29 24.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.29 98.42 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' ARG . 8.1 p -136.86 -52.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 39.72 46.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -59.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.09 165.79 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.91 118.1 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -116.44 -49.7 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -54.64 -56.53 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -55.32 -49.41 72.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.51 -60.47 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.552 ' CE ' ' CE1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HE2' HD21 ' A' ' 41' ' ' LEU . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' ' CE ' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' HE1' ' A' ' 22' ' ' MET . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' ILE . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 41' ' ' LEU . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 56' ' ' LEU . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' ILE . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HG11 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt -45.31 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 74.6 mt-30 -54.19 -54.36 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mtt -39.55 -50.9 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.25 -40.91 94.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.34 -66.05 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.9 140.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.89 106.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.85 -146.31 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.67 43.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -89.15 -59.31 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.57 145.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 45.6 88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 56.01 168.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.76 109.88 1.63 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 67.98 143.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.83 61.14 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -126.15 155.33 73.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.88 23.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.86 57.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -151.53 155.66 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.85 43.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -63.73 154.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -134.46 138.56 44.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER 79.82 152.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 69.36 166.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.27 171.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 33.9 p90 -120.58 53.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.39 -53.02 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -45.55 -58.85 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.25 -57.87 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.724 ' HE2' HD21 ' A' ' 41' ' ' LEU . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 ' HE3' ' A' ' 22' ' ' MET . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.724 HD21 ' HE2' ' A' ' 25' ' ' PHE . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 7.2 m120 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.602 HD22 ' SD ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD12 HG22 ' A' ' 52' ' ' ILE . 7.4 mt -48.03 -64.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.819 ' HA ' HD12 ' A' ' 60' ' ' LEU . 59.4 mt-30 -56.32 -54.55 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.94 -49.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 57' ' ' GLN . 44.7 mt -53.69 -66.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.83 75.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -166.65 -58.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.08 -152.73 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.75 3.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.3 p -103.13 -58.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -132.82 161.17 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -75.71 120.94 21.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -105.82 139.17 40.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.73 -163.34 38.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -172.19 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.03 116.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -158.67 8.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.19 157.47 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 136.12 20.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.808 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.78 105.36 15.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.92 -58.59 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -50.86 118.13 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t 55.26 96.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -51.31 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.01 138.71 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.58 -71.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.17 139.66 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.26 -58.53 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.55 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.37 -51.97 65.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.91 -57.85 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.557 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 40' ' ' VAL . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.587 HG22 HD12 ' A' ' 56' ' ' LEU . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 52' ' ' ILE . 4.4 mt -47.32 -61.51 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.34 -54.89 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 mtt -40.76 -42.34 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -44.69 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' GLN . 80.6 mt -55.85 -59.04 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 65.21 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 t -69.59 98.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.86 -153.13 11.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.08 36.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.5 p -122.32 128.93 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -83.78 -58.67 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 -61.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -175.94 121.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 120.01 5.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.61 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 -56.71 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 -83.21 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 160.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.4 -61.71 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -129.97 127.08 39.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -143.21 162.28 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.4 -46.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.89 139.56 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.89 -59.72 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.3 mm? 58.6 172.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.26 156.99 11.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 31.1 p90 -113.99 58.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -70.29 -58.9 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.94 -50.56 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.19 -53.28 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 51' ' ' THR . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 40' ' ' VAL . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 52' ' ' ILE . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 40' ' ' VAL . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 56' ' ' LEU . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 40' ' ' VAL . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 52' ' ' ILE . 4.9 mt -49.83 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.5 mt-30 -55.25 -51.68 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mtt -40.3 -45.68 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.12 -37.71 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' GLN . 46.2 mt -59.3 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.17 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.14 142.53 25.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.47 -150.39 9.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.44 4.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -151.84 169.17 22.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -59.76 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -173.14 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -154.86 -57.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.46 104.42 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.09 118.25 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.71 132.9 46.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.048 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 131.88 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 160.81 12.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 110.244 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.32 -61.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -78.86 130.88 36.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -143.44 104.04 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.77 128.31 70.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -53.58 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 69.53 -60.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 50.24 -177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.45 114.15 26.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.76 -53.35 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -44.77 -48.43 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.69 47.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.537 HD23 ' OG1' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 5.5 m120 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HB ' ' A' ' 40' ' ' VAL . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.648 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.3 mt -58.98 -68.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.811 ' HA ' HD23 ' A' ' 60' ' ' LEU . 96.8 mt-30 -48.17 -61.22 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.5 mtp -38.39 -56.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.42 -41.06 96.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -59.81 -46.9 87.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -39.1 -61.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 t -57.7 -55.04 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.5 172.77 31.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.0 34.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -160.1 102.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -170.15 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 57.61 81.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m 47.86 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 -65.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -100.1 112.23 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.62 132.36 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -60.39 155.92 44.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.262 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.24 162.49 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' VAL . 28.9 mtp85 -39.74 -52.9 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.8 -67.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' ARG . 77.7 t -86.86 120.71 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.03 -56.88 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 129.72 33.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 171.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.26 168.38 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -157.46 -53.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -43.59 -43.58 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.67 -48.4 69.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.15 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.681 ' HB ' HG23 ' A' ' 51' ' ' THR . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.681 HG23 ' HB ' ' A' ' 40' ' ' VAL . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.693 HG22 HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HB2' HG11 ' A' ' 40' ' ' VAL . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 52' ' ' ILE . 4.8 mt -48.06 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 7.1 mt-30 -54.01 -51.94 62.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.8 mtt -40.95 -29.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.3 t-20 -103.51 -29.25 11.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.99 33.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -51.03 69.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 -60.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.59 -150.21 19.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.19 8.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -151.08 96.69 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.4 p -112.14 129.6 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -155.61 137.36 14.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.935 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -71.7 138.05 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.46 143.14 16.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -154.66 167.68 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 137.36 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -143.78 18.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 60.34 165.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.8 4.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.26 73.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 109.99 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.54 78.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -114.4 144.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.35 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.95 154.3 34.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.16 166.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.48 160.89 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.84 46.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.91 -52.84 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.14 -57.22 5.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.47 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.499 ' SD ' HD22 ' A' ' 55' ' ' LEU . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.59 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.598 HG21 ' CD2' ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 56' ' ' LEU . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 32' ' ' MET . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 52' ' ' ILE . 5.0 mt -49.34 -62.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . 49.6 mt-30 -59.3 -53.41 58.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -40.1 -45.42 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.21 -41.84 73.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -53.27 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 125.79 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -56.47 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.91 -156.72 16.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.88 5.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -84.72 151.66 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -45.87 116.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.6 89.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 52.05 91.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.83 -144.06 18.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t 63.4 83.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -120.77 -59.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -134.01 160.31 69.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -168.89 165.0 11.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -115.18 -57.38 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -152.08 89.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -147.9 -47.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 62.52 127.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -56.65 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 72.98 165.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER 57.46 166.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 2.1 t80 55.77 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 8.6 m-20 -40.58 -50.11 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.33 -45.94 92.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.98 51.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.515 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.711 ' CE2' HD21 ' A' ' 41' ' ' LEU . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.665 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.515 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD21 ' CE2' ' A' ' 25' ' ' PHE . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB ' ' A' ' 40' ' ' VAL . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.669 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' A' ' 32' ' ' MET . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.9 mt -51.18 -65.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 42.3 mt-30 -54.26 -52.66 60.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.08 -30.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.1 t-20 -103.35 -27.79 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.78 32.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' ASN . 7.7 mt-10 -115.44 109.11 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.33 81.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.27 153.67 16.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.8 30.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 t -146.78 -61.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.3 t -178.73 156.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 -80.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' GLY . 45.7 m 66.13 134.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 -76.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 41.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.33 151.75 30.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 111.29 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 62.26 157.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.35 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -49.63 145.12 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.56 104.02 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.16 -64.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -76.06 158.5 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HD22 ' A' ' 16' ' ' LEU . 7.2 mmt85 -97.72 141.96 30.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -142.87 -71.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.46 166.84 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 17.2 p90 -151.43 62.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -77.38 -58.12 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -42.06 -50.85 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.07 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE2' HD21 ' A' ' 41' ' ' LEU . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.585 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD21 ' CE2' ' A' ' 25' ' ' PHE . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 HG23 ' HB ' ' A' ' 40' ' ' VAL . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.711 HG22 ' CD1' ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 58' ' ' MET . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.711 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.9 mt -55.92 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.826 ' HA ' HD12 ' A' ' 60' ' ' LEU . 26.5 mt-30 -50.45 -56.22 12.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.702 ' HE2' HD23 ' A' ' 55' ' ' LEU . 21.1 mtp -39.05 -51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.98 -40.99 91.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 57' ' ' GLN . 27.8 mt -56.32 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.45 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.244 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t 44.22 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.47 -154.31 6.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t 62.2 108.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.7 t -111.69 -58.24 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.29 122.56 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.054 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -135.45 91.33 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.38 76.63 1.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -150.21 -59.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p 54.73 169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 105.14 1.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.6 148.74 0.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.39 42.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.14 -59.27 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.77 153.09 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.56 144.35 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.7 m -61.06 125.01 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -128.39 92.36 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -165.81 169.62 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.54 172.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.98 148.51 7.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 32.9 p90 -116.55 51.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -83.95 -39.39 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 5.8 mm100 -53.9 -37.4 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 25' ' ' PHE . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.587 HG23 ' HB ' ' A' ' 40' ' ' VAL . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.887 HG22 HD12 ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.589 ' CD ' HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.887 HD12 HG22 ' A' ' 52' ' ' ILE . 4.2 mt -48.9 -60.73 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.875 ' HA ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt-30 -61.54 -56.63 17.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mtt -38.55 -46.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.11 -43.45 74.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 57' ' ' GLN . 19.9 mt -50.51 -61.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.26 -62.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.9 t -117.8 -46.11 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.01 158.27 32.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.47 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -171.77 148.77 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.95 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.88 -59.79 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.92 149.2 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -100.02 165.44 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.73 29.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.9 79.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -144.51 127.85 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 178.23 19.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.0 163.27 43.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.18 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 81.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -159.14 120.69 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.08 166.35 6.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.0 m -95.3 73.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -90.76 129.93 36.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 61.38 140.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.05 18.31 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.05 153.87 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.691 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 4.5 t80 -102.75 -53.12 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -41.08 -48.53 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -65.07 -40.62 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -49.32 -50.74 38.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.491 ' HG2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 32' ' ' MET . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.601 HG21 ' CD2' ' A' ' 41' ' ' LEU . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 56' ' ' LEU . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 HG21 ' A' ' 40' ' ' VAL . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -44.58 -63.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.4 mt-30 -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mtt -46.25 -32.0 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -81.45 -34.78 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' GLN . 92.2 mt -62.5 -57.34 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 62.17 71.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 m -51.05 -53.21 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.26 163.03 11.86 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 69.03 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.6 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.97 160.77 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -87.98 -58.64 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -137.02 124.49 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.37 -169.98 24.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.59 103.49 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 96.32 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.4 -108.54 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.85 149.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.14 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.77 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 158.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.22 87.65 6.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.19 -62.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.99 59.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 128.99 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.28 -71.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.5 115.06 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.01 -55.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.94 -57.68 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -53.31 -51.63 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.08 -63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.762 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 25' ' ' PHE . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.496 ' OG1' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.58 HG22 ' CD1' ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 56' ' ' LEU . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 32' ' ' MET . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 53' ' ' ASP . 6.3 mt -51.09 -65.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -51.96 -55.12 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 30.4 mtt -40.51 -48.99 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -76.92 -46.62 23.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -48.73 -57.31 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -80.2 101.16 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t 178.26 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.15 -145.63 4.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.24 31.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -179.77 -57.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.26 167.78 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 62.69 136.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -118.7 153.21 34.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.03 -160.4 12.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 63.27 121.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 42.69 86.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 -127.83 1.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.33 163.54 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.7 15.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 134.81 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.92 146.66 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.93 126.23 45.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' ARG . 24.5 m -107.64 -45.85 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.8 ttt180 65.4 125.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.73 153.84 30.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.59 -72.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -40.36 150.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 22' ' ' MET . 2.6 t80 -92.34 -51.31 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.69 -56.0 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -54.72 -52.35 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.22 -63.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.446 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD21 ' HE2' ' A' ' 25' ' ' PHE . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 40' ' ' VAL . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 32' ' ' MET . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.2 mt -49.75 -66.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' HA ' HD12 ' A' ' 60' ' ' LEU . 54.7 mt-30 -54.24 -52.55 60.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtt -41.54 -40.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.15 -40.59 62.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 57' ' ' GLN . 29.0 mt -60.16 -66.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 55.49 71.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 158.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.96 -174.43 19.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.98 3.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 118.11 22.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.2 m -118.75 152.4 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -147.49 163.77 35.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 p -110.66 136.46 49.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.57 154.34 25.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -144.72 128.07 16.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -102.39 146.01 28.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 121.22 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -105.53 154.62 39.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.58 43.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.55 120.81 25.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -55.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -42.76 -58.11 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.9 t 62.46 117.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 167.28 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.0 160.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.57 165.46 13.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.3 mt-10 -171.29 162.48 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -91.76 -63.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -46.1 -44.13 15.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.15 -49.07 66.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 17' ' ' GLU . . . -43.42 -59.4 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.476 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 41' ' ' LEU . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 25' ' ' PHE . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 40' ' ' VAL . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CB ' HG11 ' A' ' 40' ' ' VAL . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD23 ' HE1' ' A' ' 58' ' ' MET . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 52' ' ' ILE . 11.9 mt -57.56 -71.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.823 ' HA ' HD12 ' A' ' 60' ' ' LEU . 75.9 mt-30 -48.09 -58.67 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.528 ' HE1' HD23 ' A' ' 55' ' ' LEU . 33.2 mtp -37.68 -50.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -68.09 -42.52 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 57' ' ' GLN . 23.2 mt -53.62 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -102.85 -58.22 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.39 157.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.46 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -127.69 -64.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -88.39 111.56 21.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 118.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m 62.34 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.23 109.61 2.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.71 123.33 48.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.64 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 -142.48 11.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -71.93 153.36 92.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.88 8.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.67 -65.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -137.85 124.2 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.8 97.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.45 -62.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 73.73 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 55.12 94.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.75 -65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -145.11 150.2 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.9 p90 -114.55 59.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.68 -55.41 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -43.97 -49.22 8.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.9 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 41' ' ' LEU . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.686 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 25' ' ' PHE . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.0 m120 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HB1' ' ND2' ' A' ' 44' ' ' ASN . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 40' ' ' VAL . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 56' ' ' LEU . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.583 ' CD ' HG13 ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' CE ' ' A' ' 58' ' ' MET . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt -45.04 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 60' ' ' LEU . 17.6 mt-30 -54.5 -57.39 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' CE ' HD23 ' A' ' 55' ' ' LEU . 39.6 mtp -38.31 -46.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.95 -50.46 66.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 57' ' ' GLN . 1.0 OUTLIER -44.08 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 63.92 126.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.6 m 54.54 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.2 -145.88 13.32 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -146.06 -62.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 m 63.81 123.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -108.71 167.33 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -79.08 -58.63 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.55 176.29 46.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.09 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.36 147.28 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.49 -167.77 22.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -153.99 160.18 31.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.29 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.29 133.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 156.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -171.74 146.73 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.37 -23.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -58.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.613 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.98 111.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -140.34 147.77 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.83 130.49 36.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -147.62 -46.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.36 -46.52 55.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -60.7 -47.28 86.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.53 -52.82 12.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 40' ' ' VAL . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 56' ' ' LEU . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 32' ' ' MET . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.1 mt -58.14 -68.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.903 ' HA ' HD12 ' A' ' 60' ' ' LEU . 36.6 mt-30 -52.37 -42.16 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtm -51.45 -31.65 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -86.88 -21.61 26.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 57' ' ' GLN . 1.4 mt -90.97 -149.91 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.37 78.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -174.25 137.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.6 157.36 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.21 16.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 m -104.66 74.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -148.13 162.54 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.04 170.36 22.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -54.16 142.91 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.54 119.92 6.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.26 -58.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.9 129.2 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.71 165.37 17.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.73 74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -169.06 143.98 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -151.74 106.24 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.12 149.34 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -82.07 113.32 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 178.85 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 3.7 mm? -59.57 -86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER 82.7 141.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.348 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.85 58.09 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.07 -53.33 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -44.83 -47.48 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.22 -49.03 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 41' ' ' LEU . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG23 ' A' ' 51' ' ' THR . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' HG21 ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 44' ' ' ASN . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.606 HG22 ' CD1' ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.689 ' HA ' HD12 ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 53' ' ' ASP . 9.4 mt -57.61 -68.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.56 -46.12 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtm -49.27 -22.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.99 -30.77 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.84 -53.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.76 -48.85 65.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -119.64 97.61 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.71 122.16 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.23 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 164.9 22.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.27 92.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -76.43 108.02 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -125.66 163.02 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.55 -162.11 39.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.29 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -152.23 -53.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 -150.05 20.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.85 140.39 21.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.23 100.92 9.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 67.51 100.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.02 85.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.48 141.88 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.58 -54.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' HG2' HD23 ' A' ' 16' ' ' LEU . 32.1 ttm180 -169.2 151.89 4.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.579 HD23 ' HG2' ' A' ' 15' ' ' ARG . 3.5 mm? 59.76 155.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.91 164.59 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -108.69 -51.53 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.56 -53.25 48.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -55.17 -51.81 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.45 -62.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.712 ' HE2' HD21 ' A' ' 41' ' ' LEU . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 25' ' ' PHE . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 52' ' ' ILE . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 40' ' ' VAL . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 56' ' ' LEU . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CB ' HG11 ' A' ' 40' ' ' VAL . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 52' ' ' ILE . 5.3 mt -53.03 -69.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.77 -37.51 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.1 mtt -62.59 -58.16 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -29.2 69.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.39 -61.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 54.24 99.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.338 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -73.48 159.98 32.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.28 -145.31 17.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -124.26 145.02 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.1 p -164.9 155.61 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.09 110.81 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -48.01 144.45 3.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 136.97 17.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -150.69 95.65 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.26 110.44 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.56 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.09 161.03 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 0.805 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.03 150.96 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 177.48 131.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -85.03 87.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -72.44 122.35 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 135.97 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -59.55 125.16 22.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.98 -177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' ASN . 49.0 mm-40 -117.82 -47.28 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 1.2 t80 57.36 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 3.9 m120 -39.39 -56.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -53.43 -44.08 68.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -55.53 -46.36 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.676 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 7.1 m120 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 40' ' ' VAL . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 56' ' ' LEU . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 60' ' ' LEU . 6.0 mt -46.8 -63.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.68 -58.05 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.2 mtp -42.27 -55.68 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.591 HD12 ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -52.25 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.91 64.2 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.22 112.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.81 157.51 27.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 162.36 37.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -123.9 142.61 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 p -120.57 -59.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -155.36 -56.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -50.89 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.57 116.05 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.39 94.97 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 166.55 4.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 58.91 156.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.73 5.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.76 99.53 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -149.53 98.52 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 49.76 71.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.66 146.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.96 89.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 131.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 17' ' ' GLU . 1.9 tm? -165.58 134.57 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 16' ' ' LEU . 33.6 tt0 -131.16 -63.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.599 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 7.0 t80 -177.34 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.59 -61.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.7 -46.87 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -41.67 -62.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.402 ' CE ' ' CG ' ' A' ' 38' ' ' GLU . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.513 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE2' ' OE2' ' A' ' 38' ' ' GLU . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.8 m120 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB ' ' A' ' 40' ' ' VAL . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.463 HG22 HD12 ' A' ' 56' ' ' LEU . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 40' ' ' VAL . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 52' ' ' ILE . 3.6 mt -47.05 -54.46 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' LEU . 28.5 mt-30 -64.12 -54.92 26.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtt -38.23 -36.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -85.96 -42.32 14.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.714 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -56.56 -52.51 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.32 72.98 9.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.21 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.96 27.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t 62.52 158.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -125.56 136.4 53.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.552 ' CE ' ' CE1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HE2' HD21 ' A' ' 41' ' ' LEU . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' ' CE ' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' HE1' ' A' ' 22' ' ' MET . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' ILE . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 41' ' ' LEU . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 56' ' ' LEU . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' ILE . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HG11 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.724 ' HE2' HD21 ' A' ' 41' ' ' LEU . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 ' HE3' ' A' ' 22' ' ' MET . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.724 HD21 ' HE2' ' A' ' 25' ' ' PHE . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.3 m-80 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.602 HD22 ' SD ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.579 HD12 HG22 ' A' ' 52' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.557 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 40' ' ' VAL . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.587 HG22 HD12 ' A' ' 56' ' ' LEU . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 52' ' ' ILE . 4.4 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 51' ' ' THR . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 40' ' ' VAL . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 52' ' ' ILE . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 40' ' ' VAL . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 56' ' ' LEU . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 40' ' ' VAL . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 52' ' ' ILE . 4.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.537 HD23 ' OG1' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.1 m-80 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HB ' ' A' ' 40' ' ' VAL . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.648 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.681 ' HB ' HG23 ' A' ' 51' ' ' THR . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.681 HG23 ' HB ' ' A' ' 40' ' ' VAL . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.693 HG22 HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HB2' HG11 ' A' ' 40' ' ' VAL . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 52' ' ' ILE . 4.8 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.499 ' SD ' HD22 ' A' ' 55' ' ' LEU . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.59 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.598 HG21 ' CD2' ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 56' ' ' LEU . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 32' ' ' MET . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 52' ' ' ILE . 5.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.515 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.711 ' CE2' HD21 ' A' ' 41' ' ' LEU . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.665 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.515 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.711 HD21 ' CE2' ' A' ' 25' ' ' PHE . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB ' ' A' ' 40' ' ' VAL . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.669 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' A' ' 32' ' ' MET . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.9 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE2' HD21 ' A' ' 41' ' ' LEU . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.585 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD21 ' CE2' ' A' ' 25' ' ' PHE . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 HG23 ' HB ' ' A' ' 40' ' ' VAL . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.711 HG22 ' CD1' ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 ' HG2' ' A' ' 32' ' ' MET . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.711 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 25' ' ' PHE . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.687 HD21 ' NE2' ' A' ' 54' ' ' GLN . 11.2 m-80 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.587 HG23 ' HB ' ' A' ' 40' ' ' VAL . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.887 HG22 HD12 ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.887 HD12 HG22 ' A' ' 52' ' ' ILE . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.491 ' HG2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 32' ' ' MET . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' CD2' HG21 ' A' ' 51' ' ' THR . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.601 HG21 ' CD2' ' A' ' 41' ' ' LEU . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 56' ' ' LEU . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 HG21 ' A' ' 40' ' ' VAL . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 HG22 ' A' ' 52' ' ' ILE . 3.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.762 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 25' ' ' PHE . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.496 ' OG1' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.58 HG22 ' CD1' ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 56' ' ' LEU . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 32' ' ' MET . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 53' ' ' ASP . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.446 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD21 ' HE2' ' A' ' 25' ' ' PHE . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 40' ' ' VAL . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 32' ' ' MET . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.476 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 41' ' ' LEU . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 25' ' ' PHE . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.602 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 40' ' ' VAL . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CB ' HG11 ' A' ' 40' ' ' VAL . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 52' ' ' ILE . 11.9 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 41' ' ' LEU . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.686 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 25' ' ' PHE . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.4 m-80 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 40' ' ' VAL . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 56' ' ' LEU . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.583 ' CD ' HG13 ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD21 HG21 ' A' ' 40' ' ' VAL . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 40' ' ' VAL . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 56' ' ' LEU . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 32' ' ' MET . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 41' ' ' LEU . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG23 ' A' ' 51' ' ' THR . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' HG21 ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 44' ' ' ASN . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.606 HG22 ' CD1' ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.689 ' HA ' HD12 ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 53' ' ' ASP . 9.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.712 ' HE2' HD21 ' A' ' 41' ' ' LEU . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 25' ' ' PHE . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 52' ' ' ILE . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 40' ' ' VAL . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 56' ' ' LEU . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CB ' HG11 ' A' ' 40' ' ' VAL . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 52' ' ' ILE . 5.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.676 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.5 m-80 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 40' ' ' VAL . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 56' ' ' LEU . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 52' ' ' ILE . 6.0 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.402 ' CE ' ' CG ' ' A' ' 38' ' ' GLU . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.513 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE2' ' OE2' ' A' ' 38' ' ' GLU . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.4 m-80 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB ' ' A' ' 40' ' ' VAL . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.463 HG22 HD12 ' A' ' 56' ' ' LEU . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 40' ' ' VAL . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 52' ' ' ILE . 3.6 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.11 95.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.033 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -144.62 138.92 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.02 -61.97 3.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 117.21 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.84 82.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 174.86 20.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.85 153.57 45.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.559 0.799 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.79 19.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.02 97.12 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -79.54 164.29 24.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.29 98.42 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 14' ' ' ARG . 8.1 p -136.86 -52.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 39.72 46.13 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -59.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.09 165.79 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -135.91 118.1 15.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -116.44 -49.7 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -54.64 -56.53 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.32 -49.41 72.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.51 -60.47 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.552 ' CE ' ' CE1' ' A' ' 34' ' ' TYR . 3.2 mtp -41.01 -50.77 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -52.46 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 28' ' ' MET . 26.0 t70 -49.55 -50.96 39.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.746 ' HE2' HD21 ' A' ' 41' ' ' LEU . 23.7 m-85 -62.46 -38.36 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.37 -39.06 78.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -36.73 26.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.598 1.186 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.6 mmm -64.79 -48.29 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -130.99 100.82 16.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.79 -29.16 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 155.11 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -107.75 136.78 46.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' ' CE ' ' A' ' 22' ' ' MET . 17.4 t80 -45.04 -32.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -41.16 67.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.3 mm -66.03 -60.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt -40.31 -64.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' HE1' ' A' ' 22' ' ' MET . 3.8 mt-10 -54.49 -47.04 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -50.62 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' ILE . 12.7 t -62.85 -49.14 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.98 -50.78 10.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -75.54 -48.87 20.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.49 -40.21 25.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.0 m-80 -88.21 -24.2 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 81.21 78.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.76 90.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.48 95.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' ILE . 60.4 t -61.33 -55.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -41.04 -38.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -84.92 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 41' ' ' LEU . 27.2 m -39.6 -29.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 56' ' ' LEU . 28.0 mt -69.2 -72.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' ILE . 12.2 t0 -40.27 -37.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HG11 ' A' ' 40' ' ' VAL . 6.1 mm-40 -55.83 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.71 -37.96 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt -45.31 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 74.6 mt-30 -54.19 -54.36 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mtt -39.55 -50.9 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -65.25 -40.91 94.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.34 -66.05 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.9 140.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.89 106.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.85 -146.31 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.67 43.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -89.15 -59.31 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.57 145.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 45.6 88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 56.01 168.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.76 109.88 1.63 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -125.51 99.78 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 67.98 143.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.83 61.14 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -126.15 155.33 73.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.88 23.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' HB1' HE22 ' A' ' 20' ' ' GLN . . . -163.86 57.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -151.53 155.66 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 39.85 43.44 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -63.73 154.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -134.46 138.56 44.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER 79.82 152.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 69.36 166.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.27 171.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 33.9 p90 -120.58 53.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.39 -53.02 11.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.527 HE22 ' HB1' ' A' ' 10' ' ' ALA . 1.4 tt0 -45.55 -58.85 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.25 -57.87 3.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -51.93 -27.37 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLN . 2.7 t0 -71.25 -35.74 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -51.25 59.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.724 ' HE2' HD21 ' A' ' 41' ' ' LEU . 20.5 m-85 -55.73 -47.56 76.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -51.37 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.81 -36.85 81.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 mmm -64.43 -48.42 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -130.63 100.94 17.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.77 2.95 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -67.22 -30.97 71.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.602 ' SD ' HD22 ' A' ' 55' ' ' LEU . 6.4 mmt -56.14 154.38 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -103.46 132.22 49.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.3 t80 -44.91 -30.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.97 -41.43 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.4 mm -67.57 -53.83 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 ' HE3' ' A' ' 22' ' ' MET . 6.6 mt -45.86 -50.85 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' SD ' ' A' ' 22' ' ' MET . 8.3 mt-10 -67.44 -48.22 67.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 m -43.08 -44.86 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.5 t -63.34 -50.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.724 HD21 ' HE2' ' A' ' 25' ' ' PHE . 43.4 mt -44.49 -51.51 8.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -74.37 -49.17 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -48.2 -31.57 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.3 m-80 -95.01 -26.04 16.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.64 83.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.53 80.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -160.5 99.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 0.774 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 96.6 t -70.61 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -41.58 -40.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.59 -57.76 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.0 m -45.26 -26.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.579 HG22 HD12 ' A' ' 56' ' ' LEU . 68.4 mt -69.51 -65.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 56' ' ' LEU . 24.7 t0 -40.44 -34.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -71.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.602 HD22 ' SD ' ' A' ' 32' ' ' MET . 54.2 mt -48.97 -38.78 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD12 HG22 ' A' ' 52' ' ' ILE . 7.4 mt -48.03 -64.73 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.819 ' HA ' HD12 ' A' ' 60' ' ' LEU . 59.4 mt-30 -56.32 -54.55 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.94 -49.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -66.46 -42.26 87.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 57' ' ' GLN . 44.7 mt -53.69 -66.75 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.83 75.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -166.65 -58.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.08 -152.73 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.75 3.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.3 p -103.13 -58.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -132.82 161.17 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -75.71 120.94 21.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -105.82 139.17 40.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.73 -163.34 38.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -172.19 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.03 116.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -158.67 8.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.19 157.47 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 136.12 20.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.808 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.78 105.36 15.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.92 -58.59 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -50.86 118.13 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t 55.26 96.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -51.31 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.01 138.71 29.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.58 -71.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.17 139.66 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.26 -58.53 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.55 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.37 -51.97 65.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.91 -57.85 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.557 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 92.1 mmm -47.75 -48.15 30.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -52.28 -39.4 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -53.64 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -63.76 -41.09 98.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -54.63 -38.33 66.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.87 26.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 mmm -64.58 -47.96 76.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -132.19 100.73 15.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.053 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.04 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.02 -24.63 67.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 163.71 20.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -119.04 139.02 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.1 t80 -46.91 -30.85 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.1 -36.12 59.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.7 mm -72.89 -50.86 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.73 -57.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.24 -44.88 88.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.93 -53.21 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.5 t -60.6 -49.23 85.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.9 mt -46.0 -52.67 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -72.48 -42.25 65.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.99 -29.16 63.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.4 m-80 -100.54 -17.22 17.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 71.23 86.65 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.46 82.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.42 96.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 72.9 t -67.48 -61.82 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.1 m-20 -40.08 -35.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.95 -56.68 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 40' ' ' VAL . 81.8 m -48.66 -23.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.587 HG22 HD12 ' A' ' 56' ' ' LEU . 48.0 mt -72.76 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.4 -41.74 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -53.46 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.92 -36.63 62.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 HG22 ' A' ' 52' ' ' ILE . 4.4 mt -47.32 -61.51 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.34 -54.89 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 mtt -40.76 -42.34 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -44.69 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' GLN . 80.6 mt -55.85 -59.04 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 65.21 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 t -69.59 98.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.86 -153.13 11.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.08 36.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.5 p -122.32 128.93 51.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -83.78 -58.67 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -107.23 -61.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -175.94 121.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 120.01 5.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.61 102.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.61 -56.71 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 -83.21 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 160.55 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 0.741 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.4 -61.71 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -129.97 127.08 39.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -143.21 162.28 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.4 -46.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.89 139.56 33.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.89 -59.72 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.3 mm? 58.6 172.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.26 156.99 11.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 31.1 p90 -113.99 58.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -70.29 -58.9 3.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.94 -50.56 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.19 -53.28 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -48.55 -48.11 38.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.78 -47.89 50.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.59 -57.43 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.64 -39.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -54.91 -37.09 65.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -64.52 -47.6 78.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -131.65 100.53 16.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -36.09 2.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.42 -26.02 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 161.69 18.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.78 141.36 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -47.81 -31.48 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -37.85 58.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 33' ' ' ASP . 16.2 mm -70.8 -55.07 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -44.36 -58.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 8.5 mt-10 -57.2 -44.26 83.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -52.18 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 108.236 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -61.89 -48.91 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 51' ' ' THR . 50.3 mt -47.96 -52.65 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 12.6 mtt85 -71.35 -41.74 69.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.23 -40.22 73.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 40' ' ' VAL . 9.0 m-80 -90.24 -14.76 32.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 70.1 87.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.61 90.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.91 94.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 52' ' ' ILE . 58.4 t -68.39 -58.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' VAL . 15.6 t70 -40.3 -42.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -80.17 -60.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 40' ' ' VAL . 33.6 m -42.63 -27.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 56' ' ' LEU . 38.1 mt -70.73 -69.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ILE . 1.8 t70 -40.14 -41.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 50' ' ' ALA . 1.4 mp0 -51.78 -70.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 40' ' ' VAL . 31.4 mt -52.67 -37.03 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 52' ' ' ILE . 4.9 mt -49.83 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.5 mt-30 -55.25 -51.68 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 mtt -40.3 -45.68 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.12 -37.71 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' GLN . 46.2 mt -59.3 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.17 90.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.14 142.53 25.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.47 -150.39 9.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.44 4.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.761 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -151.84 169.17 22.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -59.76 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -173.14 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -154.86 -57.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.46 104.42 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.09 118.25 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.71 132.9 46.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.048 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 131.88 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 160.81 12.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 110.244 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.32 -61.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -78.86 130.88 36.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -143.44 104.04 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.77 128.31 70.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -53.58 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 69.53 -60.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 50.24 -177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.45 114.15 26.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.76 -53.35 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -44.77 -48.43 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.69 47.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -51.59 -40.21 59.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.42 -51.77 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 28' ' ' MET . 13.1 t70 -49.04 -52.65 24.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -63.67 -40.29 96.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -55.49 -36.7 66.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.51 -38.82 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 1.8 mmm -64.03 -48.03 77.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -132.85 100.93 14.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.27 2.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.72 -26.79 68.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.82 165.98 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -121.78 137.9 54.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -45.59 -30.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.63 -39.71 51.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -68.85 -52.87 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.2 mt -47.59 -55.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.64 -49.04 7.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -63.15 -49.22 84.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.537 HD23 ' OG1' ' A' ' 51' ' ' THR . 53.6 mt -46.04 -50.93 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -74.25 -42.75 59.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -61.51 -14.87 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' VAL . 9.1 m-80 -111.76 7.14 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.8 66.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.89 93.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.87 100.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.53 -60.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.24 -38.26 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -81.8 -60.1 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HB ' ' A' ' 40' ' ' VAL . 77.6 m -39.41 -30.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.648 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.8 mt -71.16 -65.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.58 -34.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -71.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 32' ' ' MET . 15.5 mt -45.78 -31.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.3 mt -58.98 -68.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.811 ' HA ' HD23 ' A' ' 60' ' ' LEU . 96.8 mt-30 -48.17 -61.22 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.5 mtp -38.39 -56.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -61.42 -41.06 96.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.811 HD23 ' HA ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -59.81 -46.9 87.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -39.1 -61.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 t -57.7 -55.04 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.5 172.77 31.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.0 34.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -160.1 102.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -170.15 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 57.61 81.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m 47.86 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 -65.54 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -100.1 112.23 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.62 132.36 2.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -60.39 155.92 44.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.262 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.56 9.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.24 162.49 6.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' VAL . 28.9 mtp85 -39.74 -52.9 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.8 -67.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' ARG . 77.7 t -86.86 120.71 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -60.03 -56.88 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 129.72 33.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 171.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.26 168.38 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CE1' HD13 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -157.46 -53.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -43.59 -43.58 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.67 -48.4 69.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.81 -53.15 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 96.3 mmm -48.31 -46.76 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -51.17 -48.54 61.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -51.91 -55.77 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -61.02 -39.71 90.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.46 68.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -36.98 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmm -64.64 -48.23 75.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -132.59 100.98 14.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.14 2.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.49 -22.94 67.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.48 163.61 23.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.65 143.36 46.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 18.6 t80 -51.55 -29.95 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.37 -35.53 54.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.7 mm -72.12 -51.37 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.9 mt -50.31 -55.94 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.27 -44.18 95.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.76 -51.7 9.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.681 ' HB ' HG23 ' A' ' 51' ' ' THR . 16.1 t -61.96 -49.07 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.1 mt -45.9 -52.29 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -73.24 -46.72 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.15 -40.02 45.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' SER . 2.7 m-80 -86.46 -23.52 25.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 83.09 83.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.91 68.62 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.15 99.43 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' ASP . 96.3 t -69.74 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-20 -40.5 -41.42 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.05 -59.17 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.681 HG23 ' HB ' ' A' ' 40' ' ' VAL . 20.6 m -42.94 -27.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.693 HG22 HD12 ' A' ' 56' ' ' LEU . 75.1 mt -70.32 -65.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.0 t0 -39.6 -39.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HB2' HG11 ' A' ' 40' ' ' VAL . 7.0 mm-40 -59.85 -67.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 mt -49.13 -40.61 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 52' ' ' ILE . 4.8 mt -48.06 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 7.1 mt-30 -54.01 -51.94 62.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.8 mtt -40.95 -29.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.3 t-20 -103.51 -29.25 11.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.99 33.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -51.03 69.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 -60.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 161.59 -150.21 19.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.19 8.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -151.08 96.69 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.4 p -112.14 129.6 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -155.61 137.36 14.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 109.935 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -71.7 138.05 48.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.46 143.14 16.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -154.66 167.68 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.94 137.36 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.02 -143.78 18.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 60.34 165.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 73.8 4.22 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.26 73.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 109.99 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.54 78.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -114.4 144.34 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.35 113.9 27.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.95 154.3 34.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.16 166.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.48 160.89 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.84 46.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.91 -52.84 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.14 -57.22 5.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.47 -63.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.549 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 4.3 mtp -49.99 -37.97 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -45.18 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.93 -48.98 69.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.02 -41.33 99.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -53.14 -38.77 62.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -35.9 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 mmm -65.88 -47.91 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -130.21 100.31 18.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -38.6 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.12 -34.51 77.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.499 ' SD ' HD22 ' A' ' 55' ' ' LEU . 8.6 mmt -52.39 167.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.29 136.54 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 24.2 t80 -46.75 -30.58 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -45.79 44.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -61.03 -58.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -40.83 -54.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.42 -46.86 78.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.73 -51.6 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.59 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.9 t -61.04 -49.43 84.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 51' ' ' THR . 39.8 mt -46.5 -54.35 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -70.35 -43.63 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -53.07 -46.39 68.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.91 -17.73 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 74.21 86.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.15 82.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.03 96.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 52' ' ' ILE . 65.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' VAL . 14.7 t0 -40.23 -40.24 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -58.98 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.598 HG21 ' CD2' ' A' ' 41' ' ' LEU . 46.1 m -45.24 -25.63 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 56' ' ' LEU . 40.4 mt -72.92 -71.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.2 t70 -40.36 -38.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.9 -70.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 32' ' ' MET . 29.1 mt -53.17 -35.27 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 52' ' ' ILE . 5.0 mt -49.34 -62.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . 49.6 mt-30 -59.3 -53.41 58.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtt -40.1 -45.42 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.21 -41.84 73.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -53.27 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 125.79 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -56.47 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.91 -156.72 16.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.88 5.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -84.72 151.66 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -45.87 116.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.6 89.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 52.05 91.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.83 -144.06 18.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t 63.4 83.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -120.77 -59.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -134.01 160.31 69.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 161.08 39.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -168.89 165.0 11.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -115.18 -57.38 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -152.08 89.11 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -147.9 -47.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 62.52 127.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.72 -56.65 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 72.98 165.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER 57.46 166.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 2.1 t80 55.77 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 8.6 m-20 -40.58 -50.11 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.33 -45.94 92.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.98 51.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.515 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 6.0 mtp -48.03 -43.9 30.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -51.15 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -50.21 -51.65 42.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.711 ' CE2' HD21 ' A' ' 41' ' ' LEU . 19.4 m-85 -61.38 -39.09 89.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -58.92 -42.3 89.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.04 -34.12 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 8.6 mmm -65.1 -49.21 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -132.49 101.32 14.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -36.0 2.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.12 -26.23 67.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.665 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.96 167.67 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -118.56 136.0 54.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.515 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 20.7 t80 -45.04 -29.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.52 -40.73 41.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.3 mm -66.37 -52.73 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -45.55 -59.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.99 -46.65 84.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.14 -49.98 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 108.237 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.7 t -61.68 -49.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.711 HD21 ' CE2' ' A' ' 25' ' ' PHE . 47.3 mt -45.97 -52.23 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -72.78 -43.79 62.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.46 -26.69 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.0 m-80 -99.35 -19.79 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 77.39 79.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.48 80.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.41 96.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' A' ' 50' ' ' ALA . 84.7 t -64.75 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.3 -30.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -88.68 -54.62 4.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.541 HG23 ' HB ' ' A' ' 40' ' ' VAL . 90.6 m -47.98 -27.88 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.669 HG22 ' CD1' ' A' ' 56' ' ' LEU . 80.7 mt -70.55 -65.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.3 t70 -40.98 -37.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -71.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' A' ' 32' ' ' MET . 32.4 mt -46.49 -36.6 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.9 mt -51.18 -65.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 42.3 mt-30 -54.26 -52.66 60.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 mtm -41.08 -30.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' LEU . 1.1 t-20 -103.35 -27.79 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER 39.78 32.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' ASN . 7.7 mt-10 -115.44 109.11 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.33 81.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.27 153.67 16.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.8 30.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.0 t -146.78 -61.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.3 t -178.73 156.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 -80.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 1' ' ' GLY . 45.7 m 66.13 134.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 -76.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 41.24 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.33 151.75 30.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 111.29 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 62.26 157.22 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.35 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -49.63 145.12 5.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.56 104.02 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.16 -64.78 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -76.06 158.5 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HD22 ' A' ' 16' ' ' LEU . 7.2 mmt85 -97.72 141.96 30.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -142.87 -71.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.46 166.84 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 17.2 p90 -151.43 62.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -77.38 -58.12 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -42.06 -50.85 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.07 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 97.3 mmm -45.47 -47.83 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.88 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.71 -59.64 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.627 ' CE2' HD21 ' A' ' 41' ' ' LEU . 29.4 m-85 -56.97 -41.11 77.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -55.55 -43.42 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -38.2 55.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 mmm -64.13 -48.17 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -133.26 101.02 13.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -60.24 -27.33 67.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.585 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -63.88 164.93 9.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.85 136.68 53.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.7 t80 -44.75 -30.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -40.75 45.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.7 mm -67.88 -49.52 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 32' ' ' MET . 5.0 mt -49.61 -57.42 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.19 -46.78 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.53 -49.52 5.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.3 t -62.64 -49.42 83.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD21 ' CE2' ' A' ' 25' ' ' PHE . 48.9 mt -46.64 -50.33 17.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -74.39 -40.97 61.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -64.06 -12.98 43.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.1 m-80 -114.62 -9.04 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLY . 8.5 m 63.88 79.22 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.33 91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.3 98.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' C ' ' N ' ' A' ' 50' ' ' ALA . 98.3 t -66.08 -60.42 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.31 -31.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -89.01 -60.26 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 HG23 ' HB ' ' A' ' 40' ' ' VAL . 93.3 m -40.06 -29.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.711 HG22 ' CD1' ' A' ' 56' ' ' LEU . 81.8 mt -69.72 -64.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.3 t70 -41.42 -37.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -62.71 -71.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 58' ' ' MET . 28.4 mt -46.41 -34.75 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.711 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.9 mt -55.92 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.826 ' HA ' HD12 ' A' ' 60' ' ' LEU . 26.5 mt-30 -50.45 -56.22 12.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.702 ' HE2' HD23 ' A' ' 55' ' ' LEU . 21.1 mtp -39.05 -51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -65.98 -40.99 91.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 57' ' ' GLN . 27.8 mt -56.32 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.45 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.244 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t 44.22 85.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.47 -154.31 6.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t 62.2 108.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.7 t -111.69 -58.24 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -116.29 122.56 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.054 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -135.45 91.33 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.38 76.63 1.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -150.21 -59.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p 54.73 169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 105.14 1.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.6 148.74 0.71 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.39 42.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.14 -59.27 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.77 153.09 40.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.56 144.35 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.7 m -61.06 125.01 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -128.39 92.36 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -165.81 169.62 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 54.54 172.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.98 148.51 7.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 32.9 p90 -116.55 51.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -83.95 -39.39 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -53.9 -37.4 63.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.74 80.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 94.5 mmm -50.94 -45.59 60.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -47.62 69.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' MET . 1.1 t0 -54.94 -52.48 62.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.6 m-85 -63.57 -43.22 97.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -52.31 -43.77 64.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.95 -37.43 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 3.0 mmm -65.03 -47.99 75.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -130.18 100.3 18.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.31 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.98 -32.33 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.7 mmt -56.21 165.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.97 140.75 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 14.1 t80 -49.71 -32.62 13.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -43.08 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.0 mm -65.65 -52.05 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.08 -53.34 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.91 -45.12 90.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -54.59 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 54' ' ' GLN . 15.9 t -60.48 -48.71 87.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 25' ' ' PHE . 41.6 mt -47.41 -54.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.93 -41.29 74.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.4 -58.06 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.687 HD21 ' NE2' ' A' ' 54' ' ' GLN . 11.2 m-80 -71.25 -8.15 51.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.99 77.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 42.53 94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.62 92.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 52' ' ' ILE . 66.8 t -61.28 -57.6 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.4 m-20 -40.02 -35.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.2 -51.96 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.587 HG23 ' HB ' ' A' ' 40' ' ' VAL . 28.3 m -53.09 -19.91 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.887 HG22 HD12 ' A' ' 56' ' ' LEU . 42.3 mt -78.47 -69.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 6.8 t0 -40.43 -50.12 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER -48.76 -71.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -53.51 -38.06 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.887 HD12 HG22 ' A' ' 52' ' ' ILE . 4.2 mt -48.9 -60.73 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.875 ' HA ' HD12 ' A' ' 60' ' ' LEU . 1.1 mt-30 -61.54 -56.63 17.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mtt -38.55 -46.93 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.11 -43.45 74.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 57' ' ' GLN . 19.9 mt -50.51 -61.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 69.26 -62.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.9 t -117.8 -46.11 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.01 158.27 32.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.47 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -171.77 148.77 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.95 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.88 -59.79 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.92 149.2 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -100.02 165.44 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.73 29.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.9 79.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -144.51 127.85 16.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 178.23 19.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.0 163.27 43.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.18 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.13 81.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -159.14 120.69 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.08 166.35 6.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.0 m -95.3 73.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -90.76 129.93 36.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 61.38 140.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.05 18.31 3.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.05 153.87 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.691 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 4.5 t80 -102.75 -53.12 2.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.08 -48.53 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -65.07 -40.62 94.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -49.32 -50.74 38.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 93.0 mmm -52.86 -46.07 67.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -31.23 56.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -50.89 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.74 -40.51 96.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -55.93 -41.45 74.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -36.4 45.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 mmm -65.9 -47.57 74.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.07 100.2 19.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.84 21.23 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -86.93 -27.91 23.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.491 ' HG2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -64.28 155.64 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -112.04 138.57 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 19.3 t80 -45.81 -32.91 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -40.34 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.0 mm -69.48 -57.41 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 32' ' ' MET . 11.2 mt -41.73 -64.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.48 -45.88 69.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -52.35 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.0 t -61.15 -49.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 40.8 mt -45.4 -51.81 10.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -73.8 -44.07 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -55.87 -25.64 43.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' VAL . 3.7 m-80 -101.71 -20.1 15.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.65 80.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.23 84.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 51' ' ' THR . . . -161.77 99.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 93.1 t -69.44 -60.62 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -44.08 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.34 -56.29 4.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.601 HG21 ' CD2' ' A' ' 41' ' ' LEU . 16.5 m -48.15 -23.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.561 HG22 HD12 ' A' ' 56' ' ' LEU . 51.3 mt -74.55 -67.55 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ILE . 7.6 t70 -39.84 -42.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.13 -71.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 HG21 ' A' ' 40' ' ' VAL . 46.5 mt -52.88 -40.28 63.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 HG22 ' A' ' 52' ' ' ILE . 3.8 mt -44.58 -63.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.4 mt-30 -57.0 -52.37 65.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mtt -46.25 -32.0 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -81.45 -34.78 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' GLN . 92.2 mt -62.5 -57.34 11.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 62.17 71.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 m -51.05 -53.21 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.26 163.03 11.86 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 69.03 5.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.6 89.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.97 160.77 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -87.98 -58.64 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -137.02 124.49 22.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.37 -169.98 24.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.59 103.49 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 96.32 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.4 -108.54 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.85 149.01 6.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.14 5.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.77 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 158.77 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.22 87.65 6.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.0 t -104.19 -62.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.99 59.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 128.99 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.28 -71.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.5 115.06 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.01 -55.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.94 -57.68 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -53.31 -51.63 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.08 -63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.5 mmm -44.07 -49.93 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.39 -47.91 62.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -52.55 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 48' ' ' VAL . 22.6 m-85 -63.57 -40.91 98.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -53.7 -40.61 66.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -35.32 41.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mmm -65.47 -48.22 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.27 100.9 15.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.5 11.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -72.56 -21.54 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.762 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -69.85 171.53 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -128.04 140.96 51.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -46.75 -30.77 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -42.83 35.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.1 mm -66.23 -53.58 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 mt -46.19 -57.61 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.7 mm-40 -56.07 -48.26 76.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.01 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.3 t -61.76 -48.69 87.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 25' ' ' PHE . 52.0 mt -47.82 -52.47 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmm-85 -71.86 -41.54 67.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.76 -33.16 68.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' VAL . 4.3 m-80 -94.2 -16.33 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.2 79.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.33 92.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.7 93.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 64.4 t -62.35 -57.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.19 -36.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.86 -58.79 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.496 ' OG1' HD23 ' A' ' 41' ' ' LEU . 47.2 m -39.26 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.58 HG22 ' CD1' ' A' ' 56' ' ' LEU . 72.1 mt -65.75 -65.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 56' ' ' LEU . 8.0 t0 -40.77 -36.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.18 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 ' HG2' ' A' ' 32' ' ' MET . 37.2 mt -45.05 -37.13 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 53' ' ' ASP . 6.3 mt -51.09 -65.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -51.96 -55.12 22.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 30.4 mtt -40.51 -48.99 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -76.92 -46.62 23.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -48.73 -57.31 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -80.2 101.16 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t 178.26 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.15 -145.63 4.24 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.24 31.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.9 p -179.77 -57.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.26 167.78 10.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 62.69 136.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -118.7 153.21 34.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.03 -160.4 12.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 63.27 121.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 42.69 86.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 -127.83 1.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.33 163.54 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.7 15.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 134.81 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.92 146.66 28.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -124.93 126.23 45.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 14' ' ' ARG . 24.5 m -107.64 -45.85 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.8 ttt180 65.4 125.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.73 153.84 30.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.59 -72.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -40.36 150.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 22' ' ' MET . 2.6 t80 -92.34 -51.31 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -51.69 -56.0 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -54.72 -52.35 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.22 -63.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.551 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.6 mtp -41.58 -43.23 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -48.84 80.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -52.62 -50.58 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' HE2' HD21 ' A' ' 41' ' ' LEU . 21.1 m-85 -61.41 -38.8 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -42.1 89.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -36.46 40.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 5.1 mmm -64.46 -48.56 74.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -132.6 101.09 14.53 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -58.86 -29.65 67.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.446 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.09 165.18 4.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -118.03 137.44 52.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 17.9 t80 -45.22 -30.38 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -40.59 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.6 mm -67.45 -53.39 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.6 -61.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.54 -45.68 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -49.59 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.61 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.6 t -62.3 -49.43 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD21 ' HE2' ' A' ' 25' ' ' PHE . 35.8 mt -45.94 -51.52 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.56 -44.3 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -56.12 -26.52 50.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 m-80 -100.6 -19.79 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER 75.64 82.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.65 84.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.08 93.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 57.9 t -64.45 -58.57 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -40.44 -39.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.56 -56.72 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 40' ' ' VAL . 97.6 m -44.62 -26.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 56' ' ' LEU . 78.6 mt -72.82 -65.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.4 t0 -40.29 -38.59 0.81 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.97 -69.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 32' ' ' MET . 53.1 mt -48.57 -39.14 22.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.2 mt -49.75 -66.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' HA ' HD12 ' A' ' 60' ' ' LEU . 54.7 mt-30 -54.24 -52.55 60.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtt -41.54 -40.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.15 -40.59 62.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 57' ' ' GLN . 29.0 mt -60.16 -66.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 55.49 71.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 158.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.96 -174.43 19.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.98 3.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 118.11 22.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.2 m -118.75 152.4 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -147.49 163.77 35.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 p -110.66 136.46 49.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.57 154.34 25.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -144.72 128.07 16.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -102.39 146.01 28.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 121.22 0.64 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -105.53 154.62 39.01 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.457 0.739 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.58 43.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.55 120.81 25.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -55.33 1.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -42.76 -58.11 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.9 t 62.46 117.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 167.28 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.0 160.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.57 165.46 13.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.3 mt-10 -171.29 162.48 6.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -91.76 -63.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -46.1 -44.13 15.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.15 -49.07 66.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 17' ' ' GLU . . . -43.42 -59.4 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.476 ' CE ' ' HG2' ' A' ' 38' ' ' GLU . 98.8 mmm -50.05 -42.19 49.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -44.56 89.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -52.13 65.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CE2' HD21 ' A' ' 41' ' ' LEU . 24.8 m-85 -63.78 -44.08 94.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -50.58 -45.32 57.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -38.15 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmm -64.32 -48.19 76.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -131.97 100.76 15.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.56 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.63 -34.43 74.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mmt -54.78 171.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -126.43 138.27 53.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE1' ' HE2' ' A' ' 22' ' ' MET . 12.3 t80 -46.4 -33.56 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.17 -38.51 72.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 mm -70.97 -56.05 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -45.99 -51.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HG2' ' CE ' ' A' ' 22' ' ' MET . 3.5 mm-40 -62.51 -48.41 79.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -42.06 -51.47 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.585 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.8 t -62.58 -49.2 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 25' ' ' PHE . 30.1 mt -44.86 -52.02 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 7.4 mtt85 -74.36 -50.07 20.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -44.24 -31.93 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.4 m-80 -98.72 -27.61 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 85.09 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.44 75.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 94.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 59.7 t -65.84 -60.25 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -40.59 -32.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.53 -57.25 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 40' ' ' VAL . 96.2 m -42.41 -29.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 56' ' ' LEU . 94.7 mt -69.37 -69.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.9 t0 -40.11 -38.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CB ' HG11 ' A' ' 40' ' ' VAL . 5.8 mm-40 -61.06 -70.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD23 ' HE1' ' A' ' 58' ' ' MET . 32.4 mt -46.98 -35.27 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD1' HG22 ' A' ' 52' ' ' ILE . 11.9 mt -57.56 -71.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.823 ' HA ' HD12 ' A' ' 60' ' ' LEU . 75.9 mt-30 -48.09 -58.67 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.528 ' HE1' HD23 ' A' ' 55' ' ' LEU . 33.2 mtp -37.68 -50.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -68.09 -42.52 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 57' ' ' GLN . 23.2 mt -53.62 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -102.85 -58.22 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.39 157.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.137 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.46 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -127.69 -64.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -88.39 111.56 21.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 118.98 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m 62.34 -92.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.23 109.61 2.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.71 123.33 48.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 0.765 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.64 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 -142.48 11.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -71.93 153.36 92.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.88 8.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.67 -65.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -137.85 124.2 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.8 97.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.45 -62.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 73.73 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 55.12 94.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -73.75 -65.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -145.11 150.2 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.9 p90 -114.55 59.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.68 -55.41 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -43.97 -49.22 8.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.9 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.7 mtp -47.39 -46.62 26.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.85 -40.68 89.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.06 -50.94 71.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' HD21 ' A' ' 41' ' ' LEU . 21.6 m-85 -60.85 -38.96 87.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -57.34 -49.65 75.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -38.0 72.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 mmm -64.07 -48.46 76.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.36 100.96 16.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -66.02 -25.29 67.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.686 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.03 155.98 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -105.83 134.58 48.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 22.1 t80 -45.89 -29.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -76.66 -53.29 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 mm -53.21 -56.9 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 32' ' ' MET . 6.8 mt -40.91 -63.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.9 mt-10 -58.55 -44.0 89.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.03 -55.24 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 54' ' ' GLN . 18.1 t -60.11 -49.29 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD21 ' CE2' ' A' ' 25' ' ' PHE . 27.3 mt -43.82 -54.31 5.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -72.51 -48.56 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.53 -46.81 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' SER . 5.4 m-80 -79.39 -24.55 42.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 85.34 78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.21 82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.0 93.23 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 52' ' ' ILE . 99.7 t -60.46 -60.65 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 12.4 m-20 -39.01 -41.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.48 -52.73 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 40' ' ' VAL . 46.1 m -52.32 -20.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 56' ' ' LEU . 49.6 mt -77.98 -66.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -40.12 -56.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.583 ' CD ' HG13 ' A' ' 40' ' ' VAL . 1.4 tt0 -42.45 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' CE ' ' A' ' 58' ' ' MET . 49.9 mt -54.01 -42.01 68.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 52' ' ' ILE . 3.3 mt -45.04 -70.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 60' ' ' LEU . 17.6 mt-30 -54.5 -57.39 11.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' CE ' HD23 ' A' ' 55' ' ' LEU . 39.6 mtp -38.31 -46.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -64.95 -50.46 66.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 57' ' ' GLN . 1.0 OUTLIER -44.08 -61.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 63.92 126.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.6 m 54.54 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.2 -145.88 13.32 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -146.06 -62.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.1 m 63.81 123.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -108.71 167.33 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -79.08 -58.63 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.55 176.29 46.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.09 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.36 147.28 23.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.49 -167.77 22.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -153.99 160.18 31.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.29 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.29 133.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 156.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -171.74 146.73 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.37 -23.12 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -58.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.613 ' O ' HD22 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -177.98 111.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -140.34 147.77 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -134.83 130.49 36.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -147.62 -46.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.36 -46.52 55.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -60.7 -47.28 86.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.53 -52.82 12.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 95.6 mmm -51.13 -47.52 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -44.56 61.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -60.8 -68.34 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 41' ' ' LEU . 28.7 m-85 -43.43 -40.38 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.25 -48.36 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -37.08 66.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 52' ' ' ILE . 80.8 mtp -60.67 -51.79 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -132.72 101.14 14.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.9 9.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.64 -19.99 64.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -73.66 169.92 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -122.76 142.06 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 16.4 t80 -49.28 -30.74 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.54 -37.1 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 40' ' ' VAL . 9.9 mm -71.22 -50.15 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -49.84 -53.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.73 -46.33 90.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -50.92 9.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 36' ' ' ILE . 13.1 t -62.45 -49.26 84.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 25' ' ' PHE . 32.2 mt -44.39 -51.48 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -75.02 -49.26 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -47.72 -32.9 6.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' SER . 3.1 m-80 -94.0 -26.14 16.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER 84.94 79.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.67 86.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.67 95.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 69.6 t -62.8 -58.76 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -40.23 -31.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' VAL . . . -89.36 -55.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 40' ' ' VAL . 49.3 m -43.78 -27.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 56' ' ' LEU . 86.3 mt -73.75 -66.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.1 t0 -40.42 -36.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -71.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 32' ' ' MET . 18.6 mt -46.31 -31.49 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 52' ' ' ILE . 7.1 mt -58.14 -68.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.903 ' HA ' HD12 ' A' ' 60' ' ' LEU . 36.6 mt-30 -52.37 -42.16 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtm -51.45 -31.65 24.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -86.88 -21.61 26.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 57' ' ' GLN . 1.4 mt -90.97 -149.91 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.37 78.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -174.25 137.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.6 157.36 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.21 16.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 m -104.66 74.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -148.13 162.54 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.04 170.36 22.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 p -54.16 142.91 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.54 119.92 6.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.26 -58.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.9 129.2 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.71 165.37 17.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.73 74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -169.06 143.98 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -151.74 106.24 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.12 149.34 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -82.07 113.32 19.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 178.85 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 3.7 mm? -59.57 -86.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER 82.7 141.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.348 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.85 58.09 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.07 -53.33 20.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -44.83 -47.48 11.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.22 -49.03 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 94.7 mmm -55.14 -45.02 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -50.24 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' MET . 20.8 t70 -52.31 -55.25 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 41' ' ' LEU . 39.7 m-85 -61.21 -43.64 98.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -52.72 -43.55 65.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -37.18 56.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ASP . 2.4 mmm -64.98 -47.97 75.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -131.99 100.82 15.56 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.93 2.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -62.72 -26.43 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.626 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -62.22 171.88 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -126.3 134.98 50.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -45.0 -29.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.58 -42.62 42.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.1 mm -65.62 -56.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' MET . 4.2 mt -43.62 -54.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.42 -47.86 82.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.03 -53.1 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.626 ' HB ' HG23 ' A' ' 51' ' ' THR . 15.6 t -61.7 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' HG21 ' A' ' 51' ' ' THR . 56.1 mt -49.07 -52.63 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -71.23 -40.02 71.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -57.7 -51.64 68.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.756 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 9.2 m-80 -76.33 -1.72 28.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 44' ' ' ASN . 15.3 p 66.52 80.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 36.57 56.05 1.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 44' ' ' ASN . . . -126.13 100.18 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 90.8 t -71.01 -60.66 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -40.91 -39.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 52' ' ' ILE . . . -82.21 -60.48 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' HB ' ' A' ' 40' ' ' VAL . 15.8 m -41.12 -28.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.606 HG22 ' CD1' ' A' ' 56' ' ' LEU . 76.8 mt -67.36 -64.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.689 ' HA ' HD12 ' A' ' 56' ' ' LEU . 7.2 t0 -43.81 -34.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.03 -71.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.07 -31.65 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 53' ' ' ASP . 9.4 mt -57.61 -68.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.56 -46.12 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mtm -49.27 -22.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.99 -30.77 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.84 -53.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.76 -48.85 65.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 m -119.64 97.61 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.71 122.16 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 85.23 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 164.9 22.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.27 92.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p -76.43 108.02 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -125.66 163.02 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.55 -162.11 39.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.29 161.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -152.23 -53.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.1 -150.05 20.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.85 140.39 21.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.84 2.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.23 100.92 9.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 67.51 100.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.02 85.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.48 141.88 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.58 -54.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' HG2' HD23 ' A' ' 16' ' ' LEU . 32.1 ttm180 -169.2 151.89 4.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.579 HD23 ' HG2' ' A' ' 15' ' ' ARG . 3.5 mm? 59.76 155.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -139.91 164.59 29.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -108.69 -51.53 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -52.56 -53.25 48.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -55.17 -51.81 65.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.45 -62.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 34' ' ' TYR . 2.3 mtp -42.93 -45.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -47.1 85.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -56.45 -51.39 68.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.712 ' HE2' HD21 ' A' ' 41' ' ' LEU . 19.7 m-85 -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -40.01 74.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.67 -36.99 31.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mmm -64.47 -48.29 75.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -131.0 100.82 16.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.24 2.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.71 -29.07 70.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.494 ' HG2' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -59.27 166.58 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -120.67 138.67 53.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 22' ' ' MET . 16.7 t80 -47.31 -30.02 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.87 -39.3 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 33' ' ' ASP . 18.7 mm -70.5 -57.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 mt -40.23 -61.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.53 -44.41 80.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.88 -50.22 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.7 t -62.83 -49.49 83.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 25' ' ' PHE . 28.2 mt -44.49 -51.6 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 12.0 mmt180 -74.84 -50.0 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -46.09 -32.9 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.6 m-80 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER 85.19 82.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.79 80.59 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.61 98.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 52' ' ' ILE . 75.4 t -67.58 -58.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.73 -44.47 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.5 -58.82 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.265 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 40' ' ' VAL . 31.0 m -44.4 -27.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 56' ' ' LEU . 44.0 mt -69.19 -69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 10.5 t0 -40.22 -38.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CB ' HG11 ' A' ' 40' ' ' VAL . 8.3 mm-40 -55.19 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 32' ' ' MET . 26.5 mt -53.27 -33.9 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD12 HG22 ' A' ' 52' ' ' ILE . 5.3 mt -53.03 -69.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.77 -37.51 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.1 mtt -62.59 -58.16 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -29.2 69.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.39 -61.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 54.24 99.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.338 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -73.48 159.98 32.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.28 -145.31 17.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.05 13.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -124.26 145.02 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.1 p -164.9 155.61 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.09 110.81 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -48.01 144.45 3.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 136.97 17.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -150.69 95.65 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.26 110.44 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.56 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.09 161.03 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 0.805 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.03 150.96 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 177.48 131.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -85.03 87.69 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -72.44 122.35 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 135.97 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -59.55 125.16 22.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.98 -177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' ASN . 49.0 mm-40 -117.82 -47.28 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 1.2 t80 57.36 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.58 ' N ' ' CG ' ' A' ' 18' ' ' PHE . 3.9 m120 -39.39 -56.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -53.43 -44.08 68.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -55.53 -46.36 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' HG3' ' A' ' 38' ' ' GLU . 91.4 mmm -56.09 -42.88 77.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -48.41 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.48 -51.82 61.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 33.2 m-85 -62.24 -38.88 90.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -57.15 -44.2 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -37.04 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.4 mmm -64.73 -48.12 75.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CB ' ' HB2' ' A' ' 32' ' ' MET . 33.2 m-85 -131.43 100.72 16.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.47 16.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.28 -18.57 41.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.676 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -71.08 162.46 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -117.91 152.48 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HE3' ' A' ' 22' ' ' MET . 20.6 t80 -62.91 -22.9 67.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 -32.55 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.1 mm -80.54 -51.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 32' ' ' MET . 13.5 mt -48.66 -50.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' CE ' ' A' ' 22' ' ' MET . 3.6 mt-10 -66.09 -46.5 77.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 m -41.86 -52.68 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.644 ' HB ' HG23 ' A' ' 51' ' ' THR . 13.4 t -61.79 -48.94 86.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 27.0 mt -45.8 -52.54 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -72.96 -46.44 52.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.93 -37.97 47.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 45' ' ' SER . 4.5 m-80 -89.45 -22.85 22.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 79.87 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.948 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.66 85.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.02 96.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 25' ' ' PHE . 62.3 t -68.02 -60.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.81 -40.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.9 -56.83 3.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 40' ' ' VAL . 38.6 m -46.83 -24.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 56' ' ' LEU . 51.4 mt -71.89 -67.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 11.0 t0 -40.4 -40.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -52.84 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.6 mt -54.65 -38.46 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' C ' HD12 ' A' ' 60' ' ' LEU . 6.0 mt -46.8 -63.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.68 -58.05 9.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.2 mtp -42.27 -55.68 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.4 -42.32 99.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.591 HD12 ' C ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -52.25 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.91 64.2 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.22 112.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.81 157.51 27.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 162.36 37.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -123.9 142.61 50.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.5 p -120.57 -59.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -155.36 -56.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -50.89 172.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.57 116.05 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 110.967 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.39 94.97 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 166.55 4.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 58.91 156.61 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.73 5.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.76 99.53 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -149.53 98.52 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 49.76 71.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.66 146.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.96 89.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 131.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 17' ' ' GLU . 1.9 tm? -165.58 134.57 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.684 ' N ' HD13 ' A' ' 16' ' ' LEU . 33.6 tt0 -131.16 -63.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.599 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 7.0 t80 -177.34 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.59 -61.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.7 -46.87 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 18' ' ' PHE . . . -41.67 -62.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.402 ' CE ' ' CG ' ' A' ' 38' ' ' GLU . 94.5 mmm -45.9 -54.79 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.48 -47.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -53.05 56.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 14.9 m-85 -59.17 -36.72 75.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -55.12 -52.59 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -41.06 90.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.513 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 10.8 mtm -63.05 -48.21 79.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 28' ' ' MET . 20.9 m-85 -136.08 100.77 10.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.06 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.21 -22.24 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.02 153.34 41.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' HB2' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.63 152.56 27.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE2' ' OE2' ' A' ' 38' ' ' GLU . 12.8 t80 -56.02 -35.64 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.65 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm -79.73 -52.0 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mt -52.88 -49.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' OE2' ' CE2' ' A' ' 34' ' ' TYR . 3.8 mt-10 -67.34 -43.02 82.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -54.38 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' HG23 ' A' ' 51' ' ' THR . 12.3 t -59.69 -49.42 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 51' ' ' THR . 32.6 mt -44.26 -54.37 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -72.06 -45.64 59.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 40' ' ' VAL . . . -50.12 -44.77 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' SER . 6.4 m-80 -82.78 -21.98 34.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER 82.27 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . . . 37.5 84.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.71 93.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ASP . 67.5 t -62.93 -60.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' VAL . 4.9 m-20 -39.82 -37.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.49 -55.03 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.607 HG23 ' HB ' ' A' ' 40' ' ' VAL . 84.0 m -47.32 -24.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.463 HG22 HD12 ' A' ' 56' ' ' LEU . 71.8 mt -74.38 -70.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 5.1 t70 -40.37 -42.29 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -71.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 40' ' ' VAL . 27.7 mt -53.87 -34.94 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD12 HG22 ' A' ' 52' ' ' ILE . 3.6 mt -47.05 -54.46 10.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' LEU . 28.5 mt-30 -64.12 -54.92 26.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtt -38.23 -36.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -85.96 -42.32 14.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.714 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -56.56 -52.51 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.32 72.98 9.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.21 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.58 169.96 27.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t 62.52 158.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -125.56 136.4 53.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 stop_ save_