data_1wih_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 1wih _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.471 HD12 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ALA . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG22 ' CG2' ' A' ' 20' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 36' ' ' ILE . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.545 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.572 ' HA ' ' CE1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG21 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' ILE . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 HG21 ' CD ' ' A' ' 19' ' ' LYS . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' CD ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 17.3 p30 -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 38.6 mm-40 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CD ' ' A' ' 55' ' ' ARG . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CD ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 36' ' ' ILE . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ILE . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG2' ' HE3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 20' ' ' VAL . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 15' ' ' THR . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.438 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' CG1' ' HA3' ' A' ' 26' ' ' GLY . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 9' ' ' ASP . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.494 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD23 ' CG ' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.458 HG23 ' CG2' ' A' ' 20' ' ' VAL . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 15' ' ' THR . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 24' ' ' GLN . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' OE1' ' ND2' ' A' ' 23' ' ' ASN . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 28' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' CE ' ' A' ' 59' ' ' MET . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.424 HG23 ' CG2' ' A' ' 20' ' ' VAL . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG23 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.461 ' CE ' HD12 ' A' ' 11' ' ' ILE . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' MET . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 36' ' ' ILE . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.413 HG21 ' CG2' ' A' ' 20' ' ' VAL . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.517 ' CG1' ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.517 ' NE ' ' CG1' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.475 HD12 ' CD1' ' A' ' 36' ' ' ILE . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' CE1' ' A' ' 10' ' ' HIS . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' CG ' ' A' ' 19' ' ' LYS . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' CG ' HG23 ' A' ' 14' ' ' VAL . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 12.8 p30 -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 37.7 mm-40 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 11' ' ' ILE . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.491 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' CD ' ' A' ' 19' ' ' LYS . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 11' ' ' ILE . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 11' ' ' ILE . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG2' HG21 ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 55.6 mm-40 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 28' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 11' ' ' ILE . 10.1 p-80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' CG2' HG21 ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 51.2 mm-40 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.522 ' HD1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' N ' ' HD1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.434 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' ' OG1' ' A' ' 15' ' ' THR . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.422 ' CE ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 12' ' ' THR . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' CB ' ' A' ' 53' ' ' ALA . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.443 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 50' ' ' ALA . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 36' ' ' ILE . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 49' ' ' ALA . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.468 ' HE2' ' CA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CA ' ' HE2' ' A' ' 30' ' ' MET . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.402 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 17.8 p-80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.463 HD12 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.484 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 30' ' ' MET . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 59' ' ' MET . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.463 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 34' ' ' GLN . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.424 HG21 ' CG2' ' A' ' 65' ' ' VAL . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG2' HG21 ' A' ' 47' ' ' THR . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HD11 ' CE ' ' A' ' 59' ' ' MET . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.432 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.414 HG22 ' CG2' ' A' ' 20' ' ' VAL . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 15' ' ' THR . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CD1' HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' CG ' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.443 ' CG2' HG23 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD11 ' CD1' ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 52' ' ' LYS . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.46 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' CG2' ' A' ' 47' ' ' THR . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.52 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 74' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' NE ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 36' ' ' ILE . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 20' ' ' VAL . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 15' ' ' THR . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.493 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 45.1 mm-40 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.421 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 71' ' ' ARG . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.472 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' VAL . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' CG ' HG22 ' A' ' 35' ' ' VAL . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.08 163.82 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -71.87 123.79 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 79.33 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.58 -57.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.49 ' OG ' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -150.54 130.26 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.42 70.65 0.85 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 HD12 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ALA . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG22 ' CG2' ' A' ' 20' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' CD1' ' OG ' ' A' ' 6' ' ' SER . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 36' ' ' ILE . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.03 174.52 12.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 161.97 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.76 152.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m 61.73 111.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -95.86 118.94 33.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 39.94 -156.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.89 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 117.88 22.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -178.6 100.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -113.11 -57.51 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.22 -59.25 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.05 155.72 7.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -106.03 -66.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -147.55 116.37 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.95 74.05 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.545 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.572 ' HA ' ' CE1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG21 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.01 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -151.82 170.76 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.11 132.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -96.37 -56.04 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -90.81 145.34 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.66 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.58 31.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -154.83 102.43 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 t -82.51 135.98 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -105.62 144.69 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -102.88 134.78 45.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.31 72.67 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -81.92 -63.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -81.36 143.05 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.67 66.84 0.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' ILE . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 HG21 ' CD ' ' A' ' 19' ' ' LYS . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' CD ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 17.3 p30 -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 38.6 mm-40 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' HD11 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CD ' ' A' ' 55' ' ' ARG . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CD ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 36' ' ' ILE . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 66.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.3 -57.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.1 m -74.21 -70.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.41 165.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.57 159.01 24.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 -57.02 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.11 133.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.07 102.49 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.12 149.81 21.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.5 -131.87 4.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 151.5 24.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 4.2 p -137.33 -56.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 48.44 84.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ILE . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG2' ' HE3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 20' ' ' VAL . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 15' ' ' THR . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' CG1' ' HA3' ' A' ' 26' ' ' GLY . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 147.53 34.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 153.55 35.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.8 p -44.57 -41.36 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 p -101.51 136.43 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.57 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.16 -85.32 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.22 -65.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -170.41 156.01 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.11 108.93 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.59 -136.41 18.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.3 150.63 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -105.64 140.33 38.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.14 56.1 2.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 9' ' ' ASP . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.494 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD23 ' CG ' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.96 -59.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.3 t -120.47 137.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m 47.21 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.22 147.15 24.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.37 -71.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -57.04 129.64 42.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 t 58.83 99.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -77.46 98.6 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.15 115.13 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 -157.41 29.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 65.07 128.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.17 168.95 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.9 4.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.458 HG23 ' CG2' ' A' ' 20' ' ' VAL . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 15' ' ' THR . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 24' ' ' GLN . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' OE1' ' ND2' ' A' ' 23' ' ' ASN . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 28' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.434 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 145.12 30.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.04 -63.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 78' ' ' THR . 2.1 p 45.28 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.431 ' N ' HG11 ' A' ' 77' ' ' VAL . 1.4 m 56.62 74.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 m -79.76 -53.96 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.73 164.21 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.62 25.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -86.83 112.52 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.43 -57.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -117.45 86.86 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -90.76 148.74 22.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 74.07 0.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 142.12 57.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' CB ' HD12 ' A' ' 36' ' ' ILE . 90.2 p -43.54 -62.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.23 43.36 39.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 HD12 ' CE ' ' A' ' 59' ' ' MET . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.424 HG23 ' CG2' ' A' ' 20' ' ' VAL . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG23 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.461 ' CE ' HD12 ' A' ' 11' ' ' ILE . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' MET . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 36' ' ' ILE . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 155.44 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.58 146.19 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 m -62.29 -59.09 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.52 147.4 30.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.27 103.0 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.72 8.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t 55.04 75.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.27 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.941 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -172.82 145.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.961 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 98.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 -158.8 12.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p 44.99 93.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' LEU . 5.5 m 47.83 72.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.21 76.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.413 HG21 ' CG2' ' A' ' 20' ' ' VAL . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.517 ' CG1' ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.517 ' NE ' ' CG1' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.475 HD12 ' CD1' ' A' ' 36' ' ' ILE . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.95 143.67 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.7 mttt -97.23 -174.44 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' LYS . 10.6 p 32.36 87.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 m 64.76 151.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.35 111.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.61 -85.88 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.2 35.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.96 -66.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.46 153.96 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -155.04 -58.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 p -66.89 170.86 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.16 146.44 6.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -56.77 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -63.46 126.5 27.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.16 66.23 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG13 ' CE1' ' A' ' 10' ' ' HIS . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' CG ' ' A' ' 19' ' ' LYS . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' CG ' HG23 ' A' ' 14' ' ' VAL . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 12.8 p30 -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 37.7 mm-40 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 11' ' ' ILE . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.491 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 132.32 15.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.45 163.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 3.5 m -108.44 111.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 t -76.62 122.41 24.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.4 t 65.91 -178.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.37 -147.73 25.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 76.55 3.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -131.34 129.69 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -154.23 159.07 41.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -168.34 143.5 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -52.92 -59.37 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 172.11 42.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -117.89 93.77 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -60.29 119.92 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.67 57.18 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' CD ' ' A' ' 19' ' ' LYS . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.454 ' CE ' HD13 ' A' ' 11' ' ' ILE . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.03 168.47 24.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt 70.69 64.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.66 135.89 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 62.89 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.8 m -134.48 -55.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.49 -149.66 13.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 170.93 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.2 p -73.8 159.7 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.19 89.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -141.41 145.99 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.37 173.99 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.34 175.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.16 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.52 79.32 1.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 11' ' ' ILE . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG2' HG21 ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 55.6 mm-40 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 28' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 155.67 42.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.87 84.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.57 137.33 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -80.55 146.7 31.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -99.27 148.73 23.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.16 -81.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.78 131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 t -72.08 129.76 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 66.38 130.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 98.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 74.77 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -61.68 -67.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -111.09 127.33 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.11 74.7 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 11' ' ' ILE . 10.1 p-80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' CG2' HG21 ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 51.2 mm-40 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 164.11 34.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 97.12 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.16 153.91 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 79' ' ' SER . 8.8 t -72.39 -46.59 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 78' ' ' THR . 79.4 p -70.47 161.08 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -121.91 6.89 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.75 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.43 116.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.91 169.69 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.25 -57.09 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.735 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -49.03 129.17 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 120.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -97.22 -54.46 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.773 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -127.4 -66.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 95.99 32.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.522 ' HD1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 ' N ' ' HD1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.434 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' O ' ' OG1' ' A' ' 15' ' ' THR . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.422 ' CE ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.58 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.1 t 63.84 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -39.08 118.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.5 t -80.25 -62.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.61 156.45 44.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 m -66.22 140.5 58.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -177.48 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -73.48 84.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -77.84 117.05 18.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -107.89 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -176.73 157.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -168.2 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.61 38.2 51.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 12' ' ' THR . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' CB ' ' A' ' 53' ' ' ALA . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 50' ' ' ALA . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 36' ' ' ILE . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.58 140.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -116.52 139.41 43.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 m -89.55 -64.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m 64.81 152.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.39 157.25 32.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.3 m -118.01 126.49 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 95.96 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -66.28 166.87 11.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.84 79.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.22 -122.6 5.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -110.54 96.89 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -43.27 164.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . -110.74 33.67 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 49' ' ' ALA . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.468 ' HE2' ' CA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CA ' ' HE2' ' A' ' 30' ' ' MET . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.402 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 138.46 22.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 79.6 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -154.4 62.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -165.49 137.04 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.47 164.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.86 155.61 17.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 64.76 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.2 168.73 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.08 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 122.84 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -92.66 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.108 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -90.3 78.76 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -155.01 154.08 31.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.51 62.42 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 17.8 p-80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.463 HD12 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.484 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 30' ' ' MET . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 59' ' ' MET . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.463 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 34' ' ' GLN . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 163.63 34.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 77' ' ' VAL . 6.0 mttt -62.55 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 78' ' ' THR . 2.2 p 45.43 -170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.423 ' N ' HG13 ' A' ' 77' ' ' VAL . 2.8 p -136.19 153.03 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 t -91.71 -48.92 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.62 156.0 31.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 92.75 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.9 t -115.98 -58.17 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -168.06 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 62.14 136.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.0 -134.59 1.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 71.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -77.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 113.07 60.05 0.42 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 74' ' ' ILE . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.424 HG21 ' CG2' ' A' ' 65' ' ' VAL . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 70' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG2' HG21 ' A' ' 47' ' ' THR . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.35 138.2 43.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.8 t -44.18 124.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -105.13 -62.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 t -91.62 105.67 17.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.65 106.85 0.35 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.82 -64.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 p -171.02 105.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.68 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.71 -92.13 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.52 85.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -65.83 154.46 39.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.03 57.01 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HD11 ' CE ' ' A' ' 59' ' ' MET . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.432 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.414 HG22 ' CG2' ' A' ' 20' ' ' VAL . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 15' ' ' THR . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' NE2' ' OD1' ' A' ' 23' ' ' ASN . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' CD1' HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' CG ' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' CG2' HG23 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD11 ' CD1' ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 52' ' ' LYS . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.46 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' CG2' ' A' ' 47' ' ' THR . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.08 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.4 m -101.52 14.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 t -136.55 46.05 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 164.78 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.62 178.81 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 78.98 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.6 p -95.55 162.13 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p 45.84 86.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.13 156.37 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 0.743 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.82 125.17 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 127.68 38.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -59.97 122.63 14.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 141.68 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.91 59.89 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.52 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HB ' ' CB ' ' A' ' 32' ' ' SER . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 74' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' NE ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 36' ' ' ILE . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 120.56 6.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.08 158.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 m -57.94 111.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 t -40.82 143.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.37 132.86 34.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.82 156.84 4.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.4 t -133.4 137.51 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m 63.94 136.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -68.91 -58.15 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.35 -55.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.67 171.84 14.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -132.84 -62.57 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -44.62 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 52.83 3.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.088 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 20' ' ' VAL . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 15' ' ' THR . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' NE2' ' ND2' ' A' ' 23' ' ' ASN . 45.1 mm-40 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.421 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 71' ' ' ARG . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ALA . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CG2' ' HG3' ' A' ' 63' ' ' PRO . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.472 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' VAL . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' CG ' HG22 ' A' ' 35' ' ' VAL . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' PRO . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 133.27 16.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -47.71 45.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 t -118.21 83.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -90.01 162.21 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -101.32 76.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.81 76.23 0.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -50.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 t -173.46 129.87 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -70.92 -58.17 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 25' ' ' ILE . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.447 ' CG2' HG22 ' A' ' 20' ' ' VAL . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.525 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 77.8 mm-40 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 13' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 36' ' ' ILE . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 69' ' ' LEU . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.481 ' CE ' HD11 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 59' ' ' MET . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.636 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 25' ' ' ILE . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.539 ' CG2' HG23 ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.616 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.59 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 HD11 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.68 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.488 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 75' ' ' PRO . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 64' ' ' GLU . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.592 HD11 HD12 ' A' ' 36' ' ' ILE . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.556 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 72' ' ' VAL . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 20' ' ' VAL . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.567 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' A' ' 24' ' ' GLN . 0.8 OUTLIER -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 2.5 mm100 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.587 ' CG2' HG21 ' A' ' 20' ' ' VAL . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.536 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG12 ' HA3' ' A' ' 26' ' ' GLY . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.494 ' HA ' HD22 ' A' ' 69' ' ' LEU . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.738 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.54 HG23 HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 64' ' ' GLU . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.541 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 72' ' ' VAL . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.653 HG21 HG21 ' A' ' 25' ' ' ILE . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG3' HG22 ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 15' ' ' THR . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 22' ' ' LEU . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG11 ' HD3' ' A' ' 71' ' ' ARG . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 28' ' ' ILE . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.482 HG22 HG21 ' A' ' 65' ' ' VAL . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 64' ' ' GLU . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD3' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 36' ' ' ILE . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.52 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.468 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.617 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 82.3 mm-40 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 74' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD22 ' A' ' 22' ' ' LEU . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 69' ' ' LEU . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 64' ' ' GLU . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 36' ' ' ILE . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 25' ' ' ILE . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG23 ' HE3' ' A' ' 19' ' ' LYS . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 25' ' ' ILE . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.793 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.049 HD11 HD11 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.793 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 13' ' ' VAL . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.491 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.604 HG23 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 74' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' HA3' ' A' ' 26' ' ' GLY . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.414 ' HA ' HD22 ' A' ' 69' ' ' LEU . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.486 HG22 ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.767 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.648 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.049 HD11 HD11 ' A' ' 22' ' ' LEU . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 75' ' ' PRO . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' GLU . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG13 ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 69' ' ' LEU . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 28' ' ' ILE . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 65' ' ' VAL . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.455 ' HB3' HD12 ' A' ' 61' ' ' LEU . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 75' ' ' PRO . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 37' ' ' LEU . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.576 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 72' ' ' VAL . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 25' ' ' ILE . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.679 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.431 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.08 HG11 ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 28' ' ' ILE . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.729 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 64' ' ' GLU . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 1.08 ' NE ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.546 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 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 core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 36' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.623 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 20' ' ' VAL . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.512 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 2.5 mm100 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.57 ' CD1' HG11 ' A' ' 13' ' ' VAL . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 22' ' ' LEU . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 8' ' ' LEU . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HG3' HD11 ' A' ' 70' ' ' ILE . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 65' ' ' VAL . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.623 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.776 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.52 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 11' ' ' ILE . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.545 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' SD ' ' A' ' 59' ' ' MET . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 47' ' ' THR . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 65' ' ' VAL . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.643 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 25' ' ' ILE . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.563 HG23 HG23 ' A' ' 28' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 69' ' ' LEU . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HG21 ' A' ' 65' ' ' VAL . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.838 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD11 ' A' ' 22' ' ' LEU . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HE ' HG22 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HG3' ' A' ' 75' ' ' PRO . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.838 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.668 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 20' ' ' VAL . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 6.8 mm100 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.547 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG21 HH21 ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 74' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 31' ' ' LYS . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG22 ' CG1' ' A' ' 28' ' ' ILE . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.604 ' HG3' HD11 ' A' ' 70' ' ' ILE . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 50' ' ' ALA . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' HD11 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD21 ' HG3' ' A' ' 75' ' ' PRO . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.584 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.604 HD11 ' HG3' ' A' ' 40' ' ' MET . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.668 HH21 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 36' ' ' ILE . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.754 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 6.2 mm100 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.788 ' O ' HD13 ' A' ' 69' ' ' LEU . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 ' O ' HD12 ' A' ' 51' ' ' ILE . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' HD23 ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG2' HD11 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 64' ' ' GLU . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.633 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 25' ' ' ILE . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CG2' ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.502 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.524 ' CG2' HG21 ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 73' ' ' PRO . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.433 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.852 HD11 HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 57' ' ' SER . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 25' ' ' ILE . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 19' ' ' LYS . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 50' ' ' ALA . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 36' ' ' ILE . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 28' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 69' ' ' LEU . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG12 ' HA3' ' A' ' 26' ' ' GLY . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 65' ' ' VAL . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 22' ' ' LEU . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 37' ' ' LEU . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 64' ' ' GLU . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 72' ' ' VAL . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' THR . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 25' ' ' ILE . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.515 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG23 ' CG2' ' A' ' 36' ' ' ILE . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.875 ' HB2' HD12 ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.925 ' HB2' HG22 ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.6 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' C ' HD13 ' A' ' 69' ' ' LEU . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.621 ' HA ' HD22 ' A' ' 69' ' ' LEU . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 43' ' ' PHE . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.763 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG23 HG12 ' A' ' 70' ' ' ILE . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 65' ' ' VAL . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.723 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.825 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.825 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.659 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 5.2 p80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD11 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 19' ' ' LYS . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 20' ' ' VAL . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG22 ' CG2' ' A' ' 15' ' ' THR . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.477 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 22' ' ' LEU . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 30' ' ' MET . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.731 ' O ' HD13 ' A' ' 69' ' ' LEU . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.405 ' HA ' HD22 ' A' ' 69' ' ' LEU . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 73' ' ' PRO . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.625 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' O ' HD22 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.705 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 36' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.587 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 20' ' ' VAL . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 8' ' ' LEU . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' HG3' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.492 HD22 HD11 ' A' ' 69' ' ' LEU . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 22' ' ' LEU . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 70' ' ' ILE . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' A' ' 51' ' ' ILE . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD23 HD13 ' A' ' 37' ' ' LEU . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 64' ' ' GLU . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.658 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 72' ' ' VAL . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' SER . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 25' ' ' ILE . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.995 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 50' ' ' ALA . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.604 HG12 HG22 ' A' ' 38' ' ' VAL . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG11 ' HD3' ' A' ' 71' ' ' ARG . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 28' ' ' ILE . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.407 ' CG2' HG21 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.837 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 11' ' ' ILE . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' CB ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.837 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 8' ' ' LEU . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 75' ' ' PRO . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 72' ' ' VAL . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 1.6 mm100 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.638 ' CG2' HG21 ' A' ' 20' ' ' VAL . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 71' ' ' ARG . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.584 HD11 HG23 ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 HH21 ' A' ' 55' ' ' ARG . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 HH21 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 64' ' ' GLU . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 8' ' ' LEU . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 75' ' ' PRO . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.504 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 46' ' ' CYS . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.546 HG21 HG23 ' A' ' 25' ' ' ILE . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.465 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 4.9 mm100 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' A' ' 36' ' ' ILE . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB2' HD12 ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.838 ' HB2' HG22 ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.978 HD13 HD23 ' A' ' 69' ' ' LEU . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' ILE . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.516 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.978 HD23 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 64' ' ' GLU . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.799 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.799 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.08 163.82 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -71.87 123.79 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 79.33 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.58 -57.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.49 ' OG ' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -150.54 130.26 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -71.42 70.65 0.85 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 25' ' ' ILE . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.447 ' CG2' HG22 ' A' ' 20' ' ' VAL . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.525 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 77.8 mm-40 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 13' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 36' ' ' ILE . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' CD1' ' OG ' ' A' ' 6' ' ' SER . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 69' ' ' LEU . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.481 ' CE ' HD11 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 59' ' ' MET . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.636 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.03 174.52 12.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 161.97 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.76 152.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m 61.73 111.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -95.86 118.94 33.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 39.94 -156.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.89 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 117.88 22.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -178.6 100.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -113.11 -57.51 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.22 -59.25 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.05 155.72 7.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -106.03 -66.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -147.55 116.37 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -108.95 74.05 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 25' ' ' ILE . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.539 ' CG2' HG23 ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.616 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.59 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 HD11 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.68 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.488 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 75' ' ' PRO . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 64' ' ' GLU . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.592 HD11 HD12 ' A' ' 36' ' ' ILE . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.556 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -151.82 170.76 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.11 132.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -96.37 -56.04 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -90.81 145.34 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.66 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.58 31.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -154.83 102.43 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 t -82.51 135.98 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -105.62 144.69 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -102.88 134.78 45.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.31 72.67 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -81.92 -63.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' CB ' HD11 ' A' ' 36' ' ' ILE . 83.9 p -81.36 143.05 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -130.67 66.84 0.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 72' ' ' VAL . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 20' ' ' VAL . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.567 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' A' ' 24' ' ' GLN . 0.8 OUTLIER -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 2.5 mm100 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.587 ' CG2' HG21 ' A' ' 20' ' ' VAL . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.536 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG12 ' HA3' ' A' ' 26' ' ' GLY . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.494 ' HA ' HD22 ' A' ' 69' ' ' LEU . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.738 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.54 HG23 HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 64' ' ' GLU . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.541 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 66.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.3 -57.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.1 m -74.21 -70.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.41 165.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.57 159.01 24.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 -57.02 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.11 133.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.07 102.49 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.12 149.81 21.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.5 -131.87 4.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 151.5 24.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 4.2 p -137.33 -56.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 61.71 48.44 84.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 72' ' ' VAL . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.653 HG21 HG21 ' A' ' 25' ' ' ILE . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG3' HG22 ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 15' ' ' THR . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 22' ' ' LEU . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG11 ' HD3' ' A' ' 71' ' ' ARG . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 28' ' ' ILE . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.482 HG22 HG21 ' A' ' 65' ' ' VAL . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 64' ' ' GLU . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD3' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 36' ' ' ILE . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 147.53 34.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 153.55 35.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.8 p -44.57 -41.36 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 p -101.51 136.43 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.57 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.16 -85.32 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.22 -65.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -170.41 156.01 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.11 108.93 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.59 -136.41 18.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.3 150.63 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -105.64 140.33 38.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -92.14 56.1 2.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.468 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.617 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 82.3 mm-40 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 74' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD22 ' A' ' 22' ' ' LEU . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 69' ' ' LEU . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 64' ' ' GLU . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 36' ' ' ILE . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 -59.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.3 t -120.47 137.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m 47.21 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.22 147.15 24.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.37 -71.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -57.04 129.64 42.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 t 58.83 99.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -77.46 98.6 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.15 115.13 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 -157.41 29.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 65.07 128.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.17 168.95 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -82.38 57.9 4.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 25' ' ' ILE . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG23 ' HE3' ' A' ' 19' ' ' LYS . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 25' ' ' ILE . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.793 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.049 HD11 HD11 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.793 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 13' ' ' VAL . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.491 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.604 HG23 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 74' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' HA3' ' A' ' 26' ' ' GLY . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.414 ' HA ' HD22 ' A' ' 69' ' ' LEU . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.486 HG22 ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.767 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.648 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.049 HD11 HD11 ' A' ' 22' ' ' LEU . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 75' ' ' PRO . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' GLU . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 145.12 30.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.04 -63.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' H ' ' A' ' 78' ' ' THR . 2.1 p 45.28 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.712 ' H ' HG22 ' A' ' 77' ' ' VAL . 1.4 m 56.62 74.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 m -79.76 -53.96 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.73 164.21 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.62 25.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -86.83 112.52 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.43 -57.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -117.45 86.86 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -90.76 148.74 22.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 74.07 0.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 142.12 57.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -43.54 -62.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 73.23 43.36 39.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG13 ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 69' ' ' LEU . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 28' ' ' ILE . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 65' ' ' VAL . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.455 ' HB3' HD12 ' A' ' 61' ' ' LEU . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 75' ' ' PRO . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 37' ' ' LEU . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.576 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 155.44 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.58 146.19 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 m -62.29 -59.09 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.52 147.4 30.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.27 103.0 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.72 8.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t 55.04 75.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.27 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.941 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -172.82 145.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.961 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 98.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 -158.8 12.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p 44.99 93.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' LEU . 5.5 m 47.83 72.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.21 76.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 72' ' ' VAL . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 25' ' ' ILE . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.679 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.431 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.08 HG11 ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 28' ' ' ILE . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.729 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 64' ' ' GLU . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 1.08 ' NE ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.546 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 143.67 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.7 mttt -97.23 -174.44 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 77' ' ' VAL . 10.6 p 32.36 87.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 m 64.76 151.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.35 111.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.61 -85.88 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.2 35.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.96 -66.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.46 153.96 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -155.04 -58.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 p -66.89 170.86 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.16 146.44 6.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -56.77 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -63.46 126.5 27.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -133.16 66.23 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 36' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.485 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.623 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 20' ' ' VAL . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.512 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 2.5 mm100 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.57 ' CD1' HG11 ' A' ' 13' ' ' VAL . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 22' ' ' LEU . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 8' ' ' LEU . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HG3' HD11 ' A' ' 70' ' ' ILE . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 65' ' ' VAL . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.623 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.776 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.52 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 11' ' ' ILE . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.545 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' SD ' ' A' ' 59' ' ' MET . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 47' ' ' THR . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 65' ' ' VAL . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.643 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 132.32 15.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.45 163.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.5 m -108.44 111.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 t -76.62 122.41 24.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.4 t 65.91 -178.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.37 -147.73 25.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 76.55 3.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -131.34 129.69 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -154.23 159.07 41.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -168.34 143.5 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -52.92 -59.37 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 172.11 42.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -117.89 93.77 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -60.29 119.92 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -101.67 57.18 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 25' ' ' ILE . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.563 HG23 HG23 ' A' ' 28' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 69' ' ' LEU . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HG21 ' A' ' 65' ' ' VAL . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.838 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD11 ' A' ' 22' ' ' LEU . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HE ' HG22 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HG3' ' A' ' 75' ' ' PRO . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.838 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.668 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 168.47 24.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt 70.69 64.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.66 135.89 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 62.89 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.8 m -134.48 -55.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.49 -149.66 13.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 170.93 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.2 p -73.8 159.7 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.19 89.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -141.41 145.99 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.37 173.99 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.34 175.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.16 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -82.52 79.32 1.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 20' ' ' VAL . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 6.8 mm100 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.547 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG21 HH21 ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 74' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 31' ' ' LYS . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG22 ' CG1' ' A' ' 28' ' ' ILE . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.604 ' HG3' HD11 ' A' ' 70' ' ' ILE . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 50' ' ' ALA . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' HD11 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD21 ' HG3' ' A' ' 75' ' ' PRO . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.584 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.604 HD11 ' HG3' ' A' ' 40' ' ' MET . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.668 HH21 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 36' ' ' ILE . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 155.67 42.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.87 84.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.57 137.33 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -80.55 146.7 31.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -99.27 148.73 23.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.16 -81.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.78 131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 t -72.08 129.76 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 66.38 130.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 98.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 74.77 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -61.68 -67.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 36' ' ' ILE . 72.3 p -111.09 127.33 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -121.11 74.7 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.754 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 6.2 mm100 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.788 ' O ' HD13 ' A' ' 69' ' ' LEU . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 ' O ' HD12 ' A' ' 51' ' ' ILE . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' HD23 ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG2' HD11 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 64' ' ' GLU . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.633 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 164.11 34.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 97.12 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 79' ' ' SER . 9.6 p -73.16 153.91 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -72.39 -46.59 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HG13 ' A' ' 77' ' ' VAL . 79.4 p -70.47 161.08 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -121.91 6.89 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.75 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.43 116.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.91 169.69 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.25 -57.09 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.735 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -49.03 129.17 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 120.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -97.22 -54.46 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.773 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -127.4 -66.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 95.99 32.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 25' ' ' ILE . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CG2' ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.502 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.524 ' CG2' HG21 ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 73' ' ' PRO . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.433 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.58 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.1 t 63.84 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -39.08 118.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.5 t -80.25 -62.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.61 156.45 44.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 m -66.22 140.5 58.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -177.48 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -73.48 84.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -77.84 117.05 18.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -107.89 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -176.73 157.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -168.2 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.61 38.2 51.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.852 HD11 HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 57' ' ' SER . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 25' ' ' ILE . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 19' ' ' LYS . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 50' ' ' ALA . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 36' ' ' ILE . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 28' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 69' ' ' LEU . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG12 ' HA3' ' A' ' 26' ' ' GLY . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 65' ' ' VAL . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 22' ' ' LEU . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 37' ' ' LEU . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 64' ' ' GLU . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.58 140.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -116.52 139.41 43.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 m -89.55 -64.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m 64.81 152.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.39 157.25 32.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.3 m -118.01 126.49 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 95.96 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -66.28 166.87 11.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.84 79.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.22 -122.6 5.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -110.54 96.89 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -43.27 164.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . -110.74 33.67 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 72' ' ' VAL . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' THR . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 25' ' ' ILE . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG23 ' CG2' ' A' ' 36' ' ' ILE . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.875 ' HB2' HD12 ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.925 ' HB2' HG22 ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.6 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' C ' HD13 ' A' ' 69' ' ' LEU . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.621 ' HA ' HD22 ' A' ' 69' ' ' LEU . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 43' ' ' PHE . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.763 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG23 HG12 ' A' ' 70' ' ' ILE . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 65' ' ' VAL . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.723 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.825 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.825 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 138.46 22.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 79.6 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 77' ' ' VAL . 8.0 p -154.4 62.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -165.49 137.04 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.47 164.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.86 155.61 17.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 64.76 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.2 168.73 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.08 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 122.84 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -92.66 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.108 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -90.3 78.76 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' HD11 ' A' ' 36' ' ' ILE . 77.4 p -155.01 154.08 31.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.659 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -142.51 62.42 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 5.2 p80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD11 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 19' ' ' LYS . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 20' ' ' VAL . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG22 ' CG2' ' A' ' 15' ' ' THR . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 22' ' ' LEU . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 6' ' ' SER . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.731 ' O ' HD13 ' A' ' 69' ' ' LEU . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.405 ' HA ' HD22 ' A' ' 69' ' ' LEU . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 73' ' ' PRO . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.625 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' O ' HD22 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.705 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 163.63 34.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 77' ' ' VAL . 6.0 mttt -62.55 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 78' ' ' THR . 2.2 p 45.43 -170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 77' ' ' VAL . 2.8 p -136.19 153.03 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 t -91.71 -48.92 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.62 156.0 31.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 92.75 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.9 t -115.98 -58.17 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -168.06 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 62.14 136.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.0 -134.59 1.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 71.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -77.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 113.07 60.05 0.42 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 36' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.587 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 20' ' ' VAL . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 8' ' ' LEU . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' HG3' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.492 HD22 HD11 ' A' ' 69' ' ' LEU . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 22' ' ' LEU . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 70' ' ' ILE . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' A' ' 51' ' ' ILE . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD23 HD13 ' A' ' 37' ' ' LEU . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 64' ' ' GLU . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.35 138.2 43.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.8 t -44.18 124.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -105.13 -62.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 t -91.62 105.67 17.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.65 106.85 0.35 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.82 -64.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 p -171.02 105.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.68 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.71 -92.13 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.52 85.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -65.83 154.46 39.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.658 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -140.03 57.01 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 72' ' ' VAL . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' SER . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 25' ' ' ILE . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.995 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 50' ' ' ALA . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.604 HG12 HG22 ' A' ' 38' ' ' VAL . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG11 ' HD3' ' A' ' 71' ' ' ARG . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 28' ' ' ILE . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.407 ' CG2' HG21 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.837 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 11' ' ' ILE . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' CB ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.837 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 8' ' ' LEU . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 75' ' ' PRO . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.08 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.4 m -101.52 14.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 t -136.55 46.05 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 164.78 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.62 178.81 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 78.98 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.6 p -95.55 162.13 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p 45.84 86.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.13 156.37 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 0.743 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.82 125.17 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 127.68 38.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -59.97 122.63 14.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 141.68 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.91 59.89 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 72' ' ' VAL . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 1.6 mm100 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.638 ' CG2' HG21 ' A' ' 20' ' ' VAL . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 71' ' ' ARG . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.584 HD11 HG23 ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 HH21 ' A' ' 55' ' ' ARG . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 HH21 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 64' ' ' GLU . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 8' ' ' LEU . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 75' ' ' PRO . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.92 120.56 6.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HD3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -179.08 158.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG22 ' HD3' ' A' ' 76' ' ' LYS . 4.2 m -57.94 111.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 t -40.82 143.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.37 132.86 34.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.82 156.84 4.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.4 t -133.4 137.51 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m 63.94 136.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -68.91 -58.15 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.35 -55.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.67 171.84 14.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -132.84 -62.57 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -44.62 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 83.19 52.83 3.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.088 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 46' ' ' CYS . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.546 HG21 HG23 ' A' ' 25' ' ' ILE . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.465 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 4.9 mm100 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' A' ' 36' ' ' ILE . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB2' HD12 ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.838 ' HB2' HG22 ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.978 HD13 HD23 ' A' ' 69' ' ' LEU . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' ILE . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.516 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.516 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.978 HD23 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 64' ' ' GLU . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 72' ' ' VAL . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.799 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.799 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 133.27 16.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -47.71 45.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 t -118.21 83.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -90.01 162.21 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -101.32 76.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.81 76.23 0.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -50.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 t -173.46 129.87 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -70.92 -58.17 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 25' ' ' ILE . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.447 ' CG2' HG22 ' A' ' 20' ' ' VAL . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.516 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 21.4 mm100 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 13' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 36' ' ' ILE . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 69' ' ' LEU . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.481 ' CE ' HD11 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 59' ' ' MET . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 25' ' ' ILE . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.539 ' CG2' HG23 ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.616 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.59 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 HD11 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.68 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.488 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 75' ' ' PRO . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 64' ' ' GLU . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.592 HD11 HD12 ' A' ' 36' ' ' ILE . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.556 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 72' ' ' VAL . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 20' ' ' VAL . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.567 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 17.3 p30 -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 38.6 mm-40 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.587 ' CG2' HG21 ' A' ' 20' ' ' VAL . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.536 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG12 ' HA3' ' A' ' 26' ' ' GLY . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.494 ' HA ' HD22 ' A' ' 69' ' ' LEU . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.738 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.54 HG23 HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 64' ' ' GLU . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.541 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 72' ' ' VAL . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.653 HG21 HG21 ' A' ' 25' ' ' ILE . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG3' HG22 ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 15' ' ' THR . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 22' ' ' LEU . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG11 ' HD3' ' A' ' 71' ' ' ARG . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 28' ' ' ILE . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.482 HG22 HG21 ' A' ' 65' ' ' VAL . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 64' ' ' GLU . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD3' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 36' ' ' ILE . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.52 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.468 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.617 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 23.3 mm100 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 74' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD22 ' A' ' 22' ' ' LEU . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 69' ' ' LEU . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 64' ' ' GLU . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 36' ' ' ILE . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 25' ' ' ILE . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG23 ' HE3' ' A' ' 19' ' ' LYS . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 25' ' ' ILE . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.793 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.049 HD11 HD11 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.793 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 13' ' ' VAL . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.491 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.604 HG23 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 74' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' HA3' ' A' ' 26' ' ' GLY . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.414 ' HA ' HD22 ' A' ' 69' ' ' LEU . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.486 HG22 ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.767 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.648 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.049 HD11 HD11 ' A' ' 22' ' ' LEU . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 75' ' ' PRO . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' GLU . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG13 ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 69' ' ' LEU . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 28' ' ' ILE . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 65' ' ' VAL . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.455 ' HB3' HD12 ' A' ' 61' ' ' LEU . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 75' ' ' PRO . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 37' ' ' LEU . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.576 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 72' ' ' VAL . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 25' ' ' ILE . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.679 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.431 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.08 HG11 ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 28' ' ' ILE . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.729 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 64' ' ' GLU . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 1.08 ' NE ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 72' ' ' VAL . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.546 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 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 core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 36' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.623 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 20' ' ' VAL . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.512 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 12.8 p30 -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 37.7 mm-40 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.57 ' CD1' HG11 ' A' ' 13' ' ' VAL . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 22' ' ' LEU . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 8' ' ' LEU . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HG3' HD11 ' A' ' 70' ' ' ILE . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 65' ' ' VAL . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.623 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.776 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.52 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 11' ' ' ILE . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.545 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' SD ' ' A' ' 59' ' ' MET . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 47' ' ' THR . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 65' ' ' VAL . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.643 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 25' ' ' ILE . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.563 HG23 HG23 ' A' ' 28' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 69' ' ' LEU . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HG21 ' A' ' 65' ' ' VAL . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.838 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD11 ' A' ' 22' ' ' LEU . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HE ' HG22 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HG3' ' A' ' 75' ' ' PRO . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.838 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.668 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 20' ' ' VAL . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 55.6 mm-40 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.547 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG21 HH21 ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 74' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 31' ' ' LYS . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG22 ' CG1' ' A' ' 28' ' ' ILE . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.604 ' HG3' HD11 ' A' ' 70' ' ' ILE . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 50' ' ' ALA . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' HD11 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD21 ' HG3' ' A' ' 75' ' ' PRO . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.584 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.604 HD11 ' HG3' ' A' ' 40' ' ' MET . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.668 HH21 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 36' ' ' ILE . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 11' ' ' ILE . 10.1 p-80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.754 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 51.2 mm-40 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.788 ' O ' HD13 ' A' ' 69' ' ' LEU . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 ' O ' HD12 ' A' ' 51' ' ' ILE . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' HD23 ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG2' HD11 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 64' ' ' GLU . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 25' ' ' ILE . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CG2' ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.502 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.524 ' CG2' HG21 ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 73' ' ' PRO . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.433 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.852 HD11 HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 57' ' ' SER . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 25' ' ' ILE . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 19' ' ' LYS . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 50' ' ' ALA . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 36' ' ' ILE . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 28' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 69' ' ' LEU . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG12 ' HA3' ' A' ' 26' ' ' GLY . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 65' ' ' VAL . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 22' ' ' LEU . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 37' ' ' LEU . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 64' ' ' GLU . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 72' ' ' VAL . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' THR . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 25' ' ' ILE . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.515 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG23 ' CG2' ' A' ' 36' ' ' ILE . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.875 ' HB2' HD12 ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.925 ' HB2' HG22 ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.6 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' C ' HD13 ' A' ' 69' ' ' LEU . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.621 ' HA ' HD22 ' A' ' 69' ' ' LEU . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 43' ' ' PHE . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.763 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG23 HG12 ' A' ' 70' ' ' ILE . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 65' ' ' VAL . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.723 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.825 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.825 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.659 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 17.8 p-80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD11 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 19' ' ' LYS . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 20' ' ' VAL . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG22 ' CG2' ' A' ' 15' ' ' THR . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.477 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 22' ' ' LEU . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 30' ' ' MET . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.731 ' O ' HD13 ' A' ' 69' ' ' LEU . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.405 ' HA ' HD22 ' A' ' 69' ' ' LEU . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 73' ' ' PRO . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.625 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' O ' HD22 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.705 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 36' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.587 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 20' ' ' VAL . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 8' ' ' LEU . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' HG3' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.492 HD22 HD11 ' A' ' 69' ' ' LEU . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 22' ' ' LEU . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 70' ' ' ILE . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' A' ' 51' ' ' ILE . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD23 HD13 ' A' ' 37' ' ' LEU . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 64' ' ' GLU . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.658 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 72' ' ' VAL . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' SER . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 25' ' ' ILE . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.995 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 50' ' ' ALA . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.604 HG12 HG22 ' A' ' 38' ' ' VAL . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG11 ' HD3' ' A' ' 71' ' ' ARG . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 28' ' ' ILE . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.407 ' CG2' HG21 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.837 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 11' ' ' ILE . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' CB ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.837 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 8' ' ' LEU . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 75' ' ' PRO . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 72' ' ' VAL . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 32.6 mm-40 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.638 ' CG2' HG21 ' A' ' 20' ' ' VAL . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 71' ' ' ARG . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.584 HD11 HG23 ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 HH21 ' A' ' 55' ' ' ARG . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 HH21 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 64' ' ' GLU . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 8' ' ' LEU . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 75' ' ' PRO . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.504 ' C ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 46' ' ' CYS . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.546 HG21 HG23 ' A' ' 25' ' ' ILE . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.1 mm-40 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' A' ' 36' ' ' ILE . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB2' HD12 ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.838 ' HB2' HG22 ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.978 HD13 HD23 ' A' ' 69' ' ' LEU . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' ILE . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.516 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.978 HD23 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 64' ' ' GLU . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.799 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.799 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.08 163.82 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -71.87 123.79 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 79.33 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.58 -57.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.49 ' OG ' ' CD1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -150.54 130.26 13.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -71.42 70.65 0.85 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 11' ' ' ILE . 6.2 mt -138.37 -49.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -51.02 -22.86 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.48 -27.26 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.0 mt -53.05 153.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -116.45 142.23 47.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 25' ' ' ILE . 69.6 t -112.97 132.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t -79.08 116.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.447 ' CG2' HG22 ' A' ' 20' ' ' VAL . 27.4 p -95.48 -174.79 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -39.58 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.19 52.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.71 175.73 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.19 151.03 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 19' ' ' LYS . 35.8 m -157.27 165.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 23' ' ' ASN . . . -79.89 154.55 28.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.58 -18.97 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.516 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 39.9 p30 -95.25 34.16 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 21.4 mm100 -131.83 -54.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 13' ' ' VAL . 20.9 pt -72.72 -19.35 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.98 165.2 29.73 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.461 HG23 HG23 ' A' ' 36' ' ' ILE . 7.3 mt -81.31 126.98 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -148.0 106.88 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 118.34 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -94.32 -71.3 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -82.67 177.13 3.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -74.98 -2.54 12.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.24 40.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG13 ' HG2' ' A' ' 71' ' ' ARG . 42.2 t -148.1 116.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' CD1' ' OG ' ' A' ' 6' ' ' SER . 3.4 mt -96.78 124.56 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 69' ' ' LEU . 8.5 mt -99.57 139.45 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -131.36 101.24 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -73.71 126.73 31.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.0 mmm -114.14 31.69 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.51 -17.53 59.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -95.49 -15.17 23.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 72.6 m-85 -152.0 68.69 7.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.1 Cg_endo -75.03 -9.26 20.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.802 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -95.45 -11.83 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.65 20.16 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.075 . . . . 0.0 108.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -60.16 -56.51 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -53.47 -49.8 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.65 -57.97 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.02 -62.78 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -41.45 -47.08 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -53.1 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.3 mp -44.22 -58.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.9 -34.94 75.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -90.97 24.0 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' MET . 67.1 m -115.11 47.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.74 31.59 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.481 ' CE ' HD11 ' A' ' 11' ' ' ILE . 46.0 mtm -128.03 105.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -70.11 60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 59' ' ' MET . 26.7 mt -106.62 161.03 14.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -117.16 91.25 36.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.02 146.21 32.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -103.75 174.58 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -154.65 118.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' THR . 3.6 mt-10 -127.17 104.71 8.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.52 -81.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.2 p -143.59 16.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -122.41 104.37 9.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.2 mt -77.51 141.32 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -116.63 133.64 55.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.3 t -127.68 97.76 29.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.67 25.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 mm -91.3 139.64 25.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.03 174.52 12.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.508 1.794 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 161.97 17.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.76 152.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m 61.73 111.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -95.86 118.94 33.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 39.94 -156.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.89 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 117.88 22.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -178.6 100.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -113.11 -57.51 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.22 -59.25 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.05 155.72 7.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -106.03 -66.09 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -147.55 116.37 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -108.95 74.05 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.9 mp -125.48 -50.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -47.49 -27.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' HG13 ' A' ' 11' ' ' ILE . 4.1 p-80 -83.48 -39.7 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt -53.7 149.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 m -111.14 139.99 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG11 ' CD1' ' A' ' 25' ' ' ILE . 96.2 t -113.58 137.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.23 143.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.521 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.4 p -139.93 178.65 7.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.91 60.93 6.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.7 t0 177.6 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.76 -141.65 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 2.2 mmtp -118.5 138.78 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.539 ' CG2' HG23 ' A' ' 25' ' ' ILE . 35.5 m -134.85 160.91 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -73.66 148.35 42.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -57.73 -21.94 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.6 p30 -92.63 33.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.616 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.0 mm-40 -129.37 -55.44 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.59 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 24.1 pt -72.98 -33.43 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.38 159.39 25.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.31 116.37 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 36' ' ' ILE . 2.8 mp -81.14 134.54 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -148.95 125.13 10.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 86.2 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -29.71 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -92.73 176.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.04 -56.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.29 42.67 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 78.6 t -148.12 117.38 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD12 HD11 ' A' ' 74' ' ' ILE . 3.1 mt -89.87 137.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.2 mt -113.7 124.32 52.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.68 ' O ' HD13 ' A' ' 69' ' ' LEU . 21.6 t -114.67 125.22 71.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -91.94 116.67 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.6 mmm -111.41 37.29 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.62 66.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -94.64 -16.4 23.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 42.6 m-85 -138.41 66.74 44.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -15.58 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -6.05 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.64 15.57 15.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 108.321 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 55.1 m -60.63 -53.99 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -58.2 -47.07 84.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.21 -56.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.9 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.488 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.1 -37.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -63.18 -68.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.75 -57.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.86 -62.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -45.91 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.91 -26.99 66.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.56 169.81 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.66 43.94 3.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -115.81 -32.24 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.08 54.62 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 75' ' ' PRO . 21.6 mt -101.68 168.06 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -117.4 81.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.09 148.82 35.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -104.66 177.92 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.6 p -151.41 119.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -127.13 104.75 8.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.32 -90.55 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.96 2.63 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.6 mm? -103.98 153.18 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 64' ' ' GLU . 15.7 mt -123.53 131.29 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -105.51 111.78 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.8 t -112.64 98.38 44.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.54 24.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.592 HD11 HD12 ' A' ' 36' ' ' ILE . 8.0 mm -86.92 140.66 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.556 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.01 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -151.82 170.76 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.11 132.78 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -96.37 -56.04 2.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -90.81 145.34 24.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.66 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.58 31.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -154.83 102.43 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 t -82.51 135.98 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -105.62 144.69 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -102.88 134.78 45.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.31 72.67 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -81.92 -63.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' CB ' HD11 ' A' ' 36' ' ' ILE . 83.9 p -81.36 143.05 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -130.67 66.84 0.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 72' ' ' VAL . 9.8 mp -124.75 -52.63 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 5.0 p-10 -41.22 -33.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 11' ' ' ILE . 8.9 p-80 -80.79 -46.0 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 10' ' ' HIS . 20.5 mt -42.6 149.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -112.4 141.61 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 25' ' ' ILE . 61.7 t -113.87 134.93 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.82 117.57 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 20' ' ' VAL . 11.3 p -109.52 164.43 12.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.7 68.76 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.245 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 169.7 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.33 -147.92 8.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 151.23 40.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' CG2' ' A' ' 25' ' ' ILE . 23.0 m -150.81 163.64 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.03 156.41 31.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.567 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -69.56 -9.27 53.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 17.3 p30 -102.71 22.95 12.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 38.6 mm-40 -120.03 -54.28 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.587 ' CG2' HG21 ' A' ' 20' ' ' VAL . 18.5 pt -72.66 -35.34 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -130.99 153.83 20.51 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.129 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -96.59 111.39 23.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.536 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -79.51 131.0 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 t -148.67 102.81 3.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.69 85.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.06 -29.04 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -94.75 177.78 1.73 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.94 -53.04 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.79 43.22 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 71' ' ' ARG . 25.2 t -148.26 111.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -85.58 144.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 mt -120.31 113.48 20.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG12 ' HA3' ' A' ' 26' ' ' GLY . 42.0 t -107.0 115.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.494 ' HA ' HD22 ' A' ' 69' ' ' LEU . 33.4 t-20 -85.87 123.85 31.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 55.6 mmm -114.17 49.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.73 -19.55 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.46 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.25 -6.71 22.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.5 m-85 -150.81 65.97 7.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -19.18 17.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -13.27 45.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.95 17.8 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -59.68 -67.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -47.14 -49.14 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.32 -58.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.12 -64.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.6 mt -40.34 -46.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -53.77 -68.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.87 -53.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -52.91 -59.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.6 -45.61 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.4 -32.02 73.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' ALA . 8.1 t -56.01 161.99 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.35 56.97 1.57 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -160.7 107.02 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.37 69.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' MET . 58.9 mt -103.68 159.94 15.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -121.52 89.23 47.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.738 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 154.7 42.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.4 mt-10 -106.69 178.04 4.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.54 HG23 HD11 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -153.92 114.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -127.21 104.9 8.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.82 -88.09 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.0 7.87 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.5 mm? -105.34 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 64' ' ' GLU . 7.0 mt -128.29 129.45 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -104.49 116.93 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.6 t -118.25 98.5 51.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 144.62 30.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.541 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.7 mm -90.25 140.45 27.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.541 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.1 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 66.04 138.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.8 t -122.3 -57.94 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.1 m -74.21 -70.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.41 165.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.57 159.01 24.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 -57.02 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.11 133.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.07 102.49 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.12 149.81 21.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.5 -131.87 4.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 151.5 24.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 4.2 p -137.33 -56.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 61.71 48.44 84.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD21 HG21 ' A' ' 72' ' ' VAL . 7.6 mp -128.79 -53.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.92 -30.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -85.35 -39.91 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 5.8 mt -43.47 150.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -115.95 139.42 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 25' ' ' ILE . 21.2 t -116.45 123.05 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 19' ' ' LYS . 2.5 t -72.16 103.83 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.653 HG21 HG21 ' A' ' 25' ' ' ILE . 15.9 p -104.32 176.65 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.4 -69.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' THR . . . 178.65 -104.23 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HG3' HG22 ' A' ' 14' ' ' VAL . 26.3 mttt -125.64 142.51 51.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.4 m -145.66 163.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -76.66 144.82 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -56.2 -19.3 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 46.8 p30 -93.47 25.96 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.4 mm-40 -121.58 -55.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 15' ' ' THR . 19.1 pt -75.44 -32.98 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CG1' ' A' ' 38' ' ' VAL . . . -132.51 145.69 17.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -90.46 112.61 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 22' ' ' LEU . 16.6 mt -83.83 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -150.66 107.82 3.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.6 101.94 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -104.05 -29.37 10.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -99.48 177.97 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.04 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 60.6 mt-30 -131.84 43.27 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG11 ' HD3' ' A' ' 71' ' ' ARG . 79.0 t -148.49 116.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 74' ' ' ILE . 2.9 mt -89.84 141.41 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 mt -112.22 126.55 55.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG22 HG12 ' A' ' 28' ' ' ILE . 47.9 t -119.77 111.47 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -84.58 116.36 23.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.9 mmm -108.79 54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.13 -25.05 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -94.88 -0.47 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 42' ' ' SER . 86.7 m-85 -160.92 65.09 2.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.02 -16.78 19.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -10.5 49.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.36 20.45 15.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.482 HG22 HG21 ' A' ' 65' ' ' VAL . 33.8 m -60.82 -55.3 34.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.56 -47.86 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.87 -57.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.42 -65.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.6 mt -38.67 -37.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.4 mttt -65.02 -67.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.58 -48.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -55.07 -61.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.83 -30.88 66.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -97.89 24.14 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.64 48.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 39.29 58.14 2.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.44 1.088 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 5.0 mtm -136.07 -48.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.73 9.05 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 164.63 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -118.28 80.25 15.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.0 148.96 35.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.719 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.2 mt-10 -103.91 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.6 p -156.02 122.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.37 104.54 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.62 -89.78 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -130.42 4.95 4.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.74 153.26 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 64' ' ' GLU . 18.3 mt -126.97 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD3' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.35 112.12 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 63' ' ' PRO . 1.6 t -111.46 98.54 40.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.99 135.35 18.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 36' ' ' ILE . 4.1 mm -83.79 140.43 40.7 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 147.53 34.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 153.55 35.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.8 p -44.57 -41.36 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 p -101.51 136.43 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.57 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.16 -85.32 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 98.11 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.22 -65.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 136.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -170.41 156.01 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.11 108.93 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.59 -136.41 18.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.3 150.63 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -105.64 140.33 38.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -92.14 56.1 2.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -130.17 -49.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -48.21 -26.97 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -88.07 -33.47 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mt -55.54 154.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.5 m -112.86 143.92 43.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 94.2 t -118.4 133.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -81.55 123.27 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.2 p -122.93 -178.92 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -52.71 64.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.03 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.88 -107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.2 OUTLIER -127.72 141.12 51.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.5 m -147.5 168.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.36 153.52 22.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -63.76 -14.32 51.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.468 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 44.1 p30 -99.46 29.35 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.617 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 23.3 mm100 -126.56 -54.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 20.8 pt -72.47 -42.63 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.46 154.8 20.17 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 114.51 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.3 mt -79.42 112.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -126.39 102.28 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.85 86.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.97 -62.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.16 165.17 22.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -2.03 12.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -147.59 29.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 71' ' ' ARG . 94.1 t -148.45 128.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 74' ' ' ILE . 2.8 mp -107.2 133.15 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.0 mt -113.38 135.03 54.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD22 ' A' ' 22' ' ' LEU . 57.2 t -130.16 101.32 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 69' ' ' LEU . 30.5 t-20 -71.84 122.45 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' A' ' 40' ' ' MET . 64.8 mmm -117.75 46.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.31 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -89.84 4.92 48.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.2 m-85 -158.89 64.68 2.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.43 12.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.754 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.16 -8.24 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.34 11.65 20.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 108.28 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -59.85 -60.16 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -52.37 -49.17 64.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.7 -57.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.23 -63.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.16 -51.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.7 mttt -50.04 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.41 -59.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -44.79 -68.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -43.74 61.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.61 -33.46 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' MET . 49.9 m -68.59 154.22 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.32 68.8 0.15 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -137.06 -47.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 72.09 15.94 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER -69.06 167.71 15.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -114.99 91.07 25.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.0 36.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.3 mt-10 -105.85 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 51' ' ' ILE . 4.2 p -157.03 119.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -127.16 104.63 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.36 -85.67 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.22 8.64 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.2 mm? -109.68 153.4 24.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 64' ' ' GLU . 12.1 mt -125.0 116.93 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -102.95 125.08 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.5 t -127.02 97.79 31.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.11 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 36' ' ' ILE . 1.5 mm -71.54 140.1 84.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.96 -59.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.3 t -120.47 137.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m 47.21 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.22 147.15 24.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.37 -71.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -57.04 129.64 42.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.8 t 58.83 99.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -77.46 98.6 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.15 115.13 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 -157.41 29.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t 65.07 128.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.17 168.95 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -82.38 57.9 4.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -123.93 -48.05 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.13 -32.29 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 11' ' ' ILE . 7.2 p-80 -74.98 -38.27 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.665 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' CE1' ' A' ' 10' ' ' HIS . 4.2 mt -55.95 149.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 1.6 m -112.76 140.59 47.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 25' ' ' ILE . 90.9 t -111.54 145.02 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG23 ' HE3' ' A' ' 19' ' ' LYS . 3.5 t -89.03 115.01 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 25' ' ' ILE . 74.9 p -124.69 -176.91 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.85 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -54.07 9.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.33 -103.33 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 4.0 mmtp -119.02 127.49 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.6 m -129.94 168.65 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.793 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 142.28 33.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.049 HD11 HD11 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -55.19 -20.33 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.6 p-10 -94.03 27.73 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.793 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 22.3 mm100 -122.58 -55.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 13' ' ' VAL . 23.7 pt -73.44 -28.95 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.491 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -138.33 146.98 18.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 112.07 23.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.604 HG23 ' CG2' ' A' ' 36' ' ' ILE . 7.2 mt -79.39 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -146.57 102.41 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 86.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.88 -35.41 14.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -86.94 176.51 3.46 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 20.5 mt-30 -129.86 41.43 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.1 t -148.11 111.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 74' ' ' ILE . 4.5 mp -82.64 147.31 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.1 mt -122.67 118.33 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' HA3' ' A' ' 26' ' ' GLY . 19.6 t -113.5 111.85 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.414 ' HA ' HD22 ' A' ' 69' ' ' LEU . 63.9 t30 -80.52 116.98 20.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 69.2 mmm -109.79 36.03 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.0 73.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -89.08 -1.89 58.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 42' ' ' SER . 75.2 m-85 -155.49 63.3 3.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 43' ' ' PHE . 18.1 Cg_endo -75.05 -18.53 18.55 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 1.05 57.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.99 15.85 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.486 HG22 ' CG2' ' A' ' 65' ' ' VAL . 92.2 m -59.69 -55.76 30.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.28 -49.04 73.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.68 -57.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.767 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.18 -62.71 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.648 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.3 mt -42.03 -63.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -40.52 -67.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.93 -59.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.049 HD11 HD11 ' A' ' 22' ' ' LEU . 2.3 mp -48.57 -52.39 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.1 mtt180 -56.19 -45.03 79.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.49 -30.86 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 154.74 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.13 44.65 3.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -117.84 -12.42 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 45.55 61.26 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 75' ' ' PRO . 31.7 mt -109.45 164.25 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -115.79 90.45 27.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.91 148.23 35.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 1.9 mt-10 -107.74 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 51' ' ' ILE . 1.7 p -156.87 117.24 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.14 104.52 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.28 -83.57 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.52 12.14 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.429 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 39' ' ' ASN . 2.0 mm? -110.78 153.54 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' GLU . 6.1 mt -120.59 113.57 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 1.2 mtm180 -99.0 115.02 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 72' ' ' VAL . 2.4 t -119.18 102.23 48.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.04 132.09 14.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.848 HD11 HD11 ' A' ' 36' ' ' ILE . 3.0 mm -82.97 140.45 43.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 145.12 30.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.04 -63.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' H ' ' A' ' 78' ' ' THR . 2.1 p 45.28 -169.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.712 ' H ' HG22 ' A' ' 77' ' ' VAL . 1.4 m 56.62 74.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 m -79.76 -53.96 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.73 164.21 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.62 25.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -86.83 112.52 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.43 -57.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 79' ' ' SER . 0.4 OUTLIER -117.45 86.86 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -90.76 148.74 22.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 74.07 0.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 142.12 57.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -43.54 -62.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 73.23 43.36 39.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.7 mp -125.34 -45.08 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -47.59 -27.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -88.31 -34.0 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -51.33 151.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -116.32 137.26 52.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 25' ' ' ILE . 60.4 t -109.15 132.53 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -73.18 135.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.7 p -133.6 171.2 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 69.01 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 169.52 -33.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.04 -147.54 10.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 1.9 mmtp -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.2 m -126.74 163.72 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -77.54 153.73 33.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -65.18 -12.03 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.8 p30 -99.96 24.98 7.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.604 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 36.5 mm-40 -121.97 -54.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.594 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 18.5 pt -73.81 -29.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -137.71 156.2 23.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.55 110.84 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.0 mt -79.2 125.93 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 105.05 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.73 85.07 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.95 -30.06 19.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -91.74 175.69 3.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -75.01 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 22.2 mt-30 -131.65 45.5 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG13 ' HG2' ' A' ' 71' ' ' ARG . 2.8 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.2 mt -79.5 141.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 69' ' ' LEU . 49.2 mt -122.05 117.77 27.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 28' ' ' ILE . 38.3 t -112.78 105.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -75.24 120.64 21.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.6 mmm -107.35 29.04 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 -16.23 25.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -92.86 -38.81 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 67.8 m-85 -125.9 71.68 68.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -20.46 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 19.56 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.467 HG22 HG21 ' A' ' 65' ' ' VAL . 48.8 m -58.9 -53.31 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -59.74 -47.56 85.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.07 -56.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.637 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.78 -63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.4 mt -41.18 -36.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.6 mttt -64.17 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.38 -54.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -49.86 -60.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.72 -29.22 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -101.55 24.14 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 17.0 m -113.75 46.94 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 39.91 0.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.455 ' HB3' HD12 ' A' ' 61' ' ' LEU . 37.1 mtm -136.03 106.53 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -69.28 65.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 75' ' ' PRO . 24.2 mt -112.21 164.26 13.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -123.69 87.29 52.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.0 147.03 33.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.52 178.1 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.7 p -155.78 116.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.3 104.56 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.85 -85.86 0.16 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -135.92 9.65 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.367 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 37' ' ' LEU . 2.5 mm? -105.62 153.64 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -127.48 119.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.722 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -96.51 129.15 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.6 t -133.57 98.48 14.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.05 135.05 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 75' ' ' PRO . 3.2 mm -79.8 140.42 54.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.576 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.98 160.96 39.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 155.44 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.58 146.19 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 m -62.29 -59.09 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.52 147.4 30.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.27 103.0 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.72 8.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t 55.04 75.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.27 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.941 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -172.82 145.25 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.961 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 98.55 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.52 -158.8 12.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p 44.99 93.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' LEU . 5.5 m 47.83 72.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.21 76.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 72' ' ' VAL . 4.6 mt -139.41 -51.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.58 -28.11 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -88.56 -36.56 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.559 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.5 mt -45.21 148.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -112.73 140.9 47.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 25' ' ' ILE . 85.0 t -114.08 135.87 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -82.82 115.52 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -111.0 170.48 8.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.81 72.86 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.83 -33.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.93 -142.12 6.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.37 145.36 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG21 ' CG2' ' A' ' 25' ' ' ILE . 26.9 m -144.18 165.9 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.28 147.6 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.04 -16.11 28.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 16.2 p30 -97.62 29.33 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.679 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.9 mm-40 -126.56 -54.43 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 19.8 pt -72.21 -29.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.431 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -135.1 145.83 17.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.04 110.72 20.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' CG2' ' A' ' 36' ' ' ILE . 17.9 mt -79.4 126.01 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -147.63 105.18 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 85.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -29.51 18.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.484 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -88.46 176.92 2.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.01 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 27.0 mt-30 -127.56 43.57 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.08 HG11 ' NE ' ' A' ' 71' ' ' ARG . 40.1 t -148.61 119.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.1 mt -93.2 126.35 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 69' ' ' LEU . 61.7 mt -99.42 130.87 45.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 28' ' ' ILE . 40.7 t -123.69 102.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.729 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.1 t-20 -74.46 121.64 21.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.1 mmm -108.64 36.61 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -18.86 65.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -95.16 -17.57 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 75.7 m-85 -146.49 68.26 12.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -15.86 20.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -89.29 -15.15 34.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.3 15.59 23.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.2 m -57.18 -59.4 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -54.85 -49.41 71.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.75 -57.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.51 -63.43 1.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.4 mt -40.86 -48.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -52.17 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.07 -58.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.634 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -47.52 -66.18 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -17.04 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LYS . 3.8 mt-10 -111.11 24.22 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.2 m -118.39 58.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' SER . . . 37.23 36.45 0.22 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 11' ' ' ILE . 24.2 mtm -137.32 122.89 19.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -87.71 45.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD11 ' HG3' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -87.06 161.59 18.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -116.23 87.33 19.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.94 145.15 31.33 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -104.66 171.47 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' A' ' 51' ' ' ILE . 8.3 p -156.61 119.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -127.24 104.66 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.45 -84.78 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.49 8.35 3.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mm? -108.16 153.42 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 64' ' ' GLU . 9.9 mt -126.1 121.51 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 1.08 ' NE ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -99.3 117.04 32.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 72' ' ' VAL . 2.0 t -118.4 98.48 51.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.07 136.35 20.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.546 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.7 mm -78.31 139.58 60.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.95 143.67 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.7 mttt -97.23 -174.44 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 77' ' ' VAL . 10.6 p 32.36 87.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 m 64.76 151.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.35 111.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.035 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.61 -85.88 0.38 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 163.2 35.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.96 -66.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.46 153.96 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -155.04 -58.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 p -66.89 170.86 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.16 146.44 6.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -56.77 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -63.46 126.5 27.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -133.16 66.23 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 36' ' ' ILE . 11.0 mp -123.6 -45.15 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -46.69 -29.03 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.474 ' CE1' HG13 ' A' ' 11' ' ' ILE . 5.8 p-80 -84.77 -36.55 21.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.485 HD11 ' CE ' ' A' ' 59' ' ' MET . 10.9 mt -51.47 153.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -114.4 142.63 46.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.623 ' CG1' ' HB1' ' A' ' 49' ' ' ALA . 99.1 t -112.13 123.79 68.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -72.0 115.16 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 20' ' ' VAL . 29.5 p -104.64 166.44 10.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 57.58 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.7 t0 178.29 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.94 -154.98 13.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -115.27 141.46 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.512 ' CG2' HG23 ' A' ' 25' ' ' ILE . 29.0 m -139.08 162.57 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.01 147.38 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -61.35 -15.07 32.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 12.8 p30 -97.68 22.22 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 37.7 mm-40 -117.21 -55.08 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.57 ' CD1' HG11 ' A' ' 13' ' ' VAL . 21.8 pt -69.99 -19.12 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.73 165.72 32.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 114.93 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 22' ' ' LEU . 14.8 mt -80.99 118.2 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.84 102.3 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 98.22 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -76.93 -61.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -81.69 165.69 42.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.45 7.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.57 41.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 97.6 t -148.78 129.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 8' ' ' LEU . 3.5 mt -104.99 132.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HG3' ' A' ' 71' ' ' ARG . 92.3 mt -119.17 127.39 53.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 t -120.85 121.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -91.85 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HG3' HD11 ' A' ' 70' ' ' ILE . 58.7 mmm -102.31 34.34 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.58 -21.88 66.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -7.49 26.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 75.3 m-85 -146.47 65.16 10.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -4.86 16.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -102.96 -16.62 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -100.68 -0.09 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.607 HG22 HG21 ' A' ' 65' ' ' VAL . 63.0 m -45.1 -51.61 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.97 -50.54 73.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.623 ' HB1' ' CG1' ' A' ' 13' ' ' VAL . . . -39.69 -59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.776 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -49.63 -64.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.52 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mt -39.94 -52.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.3 mttt -50.89 -67.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.2 -60.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.5 mp -45.6 -66.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.16 -22.39 16.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.1 mt-10 -104.75 24.13 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.443 ' OG ' HD13 ' A' ' 11' ' ' ILE . 74.3 m -108.85 34.56 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.9 45.74 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.545 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.2 mtm -118.29 -34.1 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 65.93 48.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' SD ' ' A' ' 59' ' ' MET . 23.4 mt -107.59 169.15 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -115.7 89.01 21.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 137.56 21.8 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.417 1.746 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 18.5 tp10 -104.83 153.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG21 HG22 ' A' ' 47' ' ' THR . 7.2 p -144.64 124.02 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.35 104.49 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.46 -85.91 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -138.64 11.52 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.365 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 1.4 mm? -109.61 153.69 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 65' ' ' VAL . 10.0 mt -128.23 105.39 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.643 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -98.01 112.81 24.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.8 t -117.09 98.13 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.61 19.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.1 mm -82.22 140.1 45.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 132.32 15.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.45 163.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 77' ' ' VAL . 3.5 m -108.44 111.7 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 t -76.62 122.41 24.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.4 t 65.91 -178.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.37 -147.73 25.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 76.55 3.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.441 1.758 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -131.34 129.69 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -154.23 159.07 41.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -168.34 143.5 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -52.92 -59.37 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.39 172.11 42.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -117.89 93.77 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -60.29 119.92 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.765 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -101.67 57.18 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.6 mp -128.67 -45.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.09 -30.06 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -83.13 -35.88 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' OG ' ' A' ' 57' ' ' SER . 13.7 mt -51.31 154.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.66 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 25' ' ' ILE . 55.1 t -107.94 135.51 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.52 125.3 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.8 p -130.57 -177.57 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.04 -56.1 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -53.22 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.82 -104.16 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -127.24 127.83 45.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 25' ' ' ILE . 35.8 m -126.53 160.75 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -74.69 142.99 44.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -54.85 -19.54 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 53.8 p30 -93.06 28.3 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 40.6 mm-40 -123.83 -55.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 21.8 pt -73.38 -33.05 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -132.35 155.07 21.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 105.7 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 22' ' ' LEU . 8.7 mt -79.28 131.59 33.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -149.62 103.61 3.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 85.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.58 -25.59 20.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -98.54 176.31 2.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.07 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 41.7 mt-30 -129.38 42.6 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 52.9 t -148.44 116.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.563 HG23 HG23 ' A' ' 28' ' ' ILE . 2.7 mt -88.36 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -115.75 124.18 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 69' ' ' LEU . 3.2 t -117.25 130.77 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -102.39 108.33 19.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 66.3 mmm -98.81 28.45 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.85 -14.65 35.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -102.96 -12.11 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 44.0 m-85 -146.72 65.77 10.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.36 16.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -100.9 -12.32 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 20.3 15.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.421 HG22 HG21 ' A' ' 65' ' ' VAL . 53.5 m -61.46 -60.57 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.98 -49.63 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -38.9 -59.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -47.44 -63.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.838 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.3 mt -40.13 -58.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -42.83 -63.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.27 -60.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.663 HD11 HD11 ' A' ' 22' ' ' LEU . 1.9 mp -46.77 -49.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' HE ' HG22 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.83 -40.96 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.47 19.64 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 22.8 t -96.93 20.38 11.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.82 22.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 61' ' ' LEU . 8.9 mtm -125.39 -40.69 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 59' ' ' MET . 13.8 t-20 76.29 43.77 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.668 HD21 ' HG3' ' A' ' 75' ' ' PRO . 19.0 mt -103.58 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -115.15 90.9 25.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.681 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 143.63 29.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ARG . 2.0 mt-10 -103.97 156.16 18.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.838 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.8 p -146.36 121.27 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.23 104.54 8.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.57 -83.0 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 p -137.68 10.71 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.419 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.2 mm? -107.79 153.44 22.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.93 124.75 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -110.55 113.5 26.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.9 t -115.3 98.46 50.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 129.64 12.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm -79.61 139.95 55.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.668 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 168.47 24.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt 70.69 64.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.66 135.89 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m 62.89 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.8 m -134.48 -55.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.49 -149.66 13.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 170.93 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.2 p -73.8 159.7 32.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.19 89.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -141.41 145.99 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.37 173.99 19.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.34 175.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.79 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.16 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -82.52 79.32 1.9 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.2 mp -123.85 -50.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -44.18 -37.02 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' CE1' HG13 ' A' ' 11' ' ' ILE . 6.7 p-80 -72.91 -41.44 64.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.648 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 10' ' ' HIS . 23.3 mt -50.44 155.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 2.1 m -118.86 146.51 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG11 ' CD1' ' A' ' 25' ' ' ILE . 24.0 t -119.03 129.85 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.7 t -79.65 110.62 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 ' CG2' HG22 ' A' ' 20' ' ' VAL . 80.0 p -94.61 179.89 5.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.3 59.17 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 t0 177.62 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.09 -146.89 5.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.68 149.78 41.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 25' ' ' ILE . 22.8 m -148.73 168.76 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -82.75 153.65 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.26 -14.84 58.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 3.2 p-10 -100.04 30.16 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 55.6 mm-40 -126.83 -53.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.7 pt -71.71 -24.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.93 154.75 24.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 109.91 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.547 ' CG1' HG22 ' A' ' 38' ' ' VAL . 5.2 mt -79.16 127.49 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.2 t -146.75 108.79 4.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 85.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -91.05 -34.51 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -84.46 172.95 7.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.978 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -125.5 28.73 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG21 HH21 ' A' ' 71' ' ' ARG . 4.1 t -139.56 127.9 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 74' ' ' ILE . 4.9 mp -94.98 153.46 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 31' ' ' LYS . 86.3 mt -126.19 135.43 51.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG22 ' CG1' ' A' ' 28' ' ' ILE . 40.4 t -129.2 107.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -76.06 123.45 25.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.604 ' HG3' HD11 ' A' ' 70' ' ' ILE . 71.6 mmm -114.06 35.89 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.91 67.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.541 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -93.34 -1.77 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 67.4 m-85 -154.18 66.29 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -17.45 19.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.49 0.37 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.33 7.98 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 65' ' ' VAL . 44.1 m -57.25 -64.21 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.85 -49.49 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.78 -57.14 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -49.57 -64.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 63' ' ' PRO . 3.1 mt -38.34 -46.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' ALA . 1.1 mttt -56.84 -65.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.25 -51.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 50' ' ' ALA . 3.0 mt -51.99 -68.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -43.24 55.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -61.97 -36.05 80.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 12.2 t -43.7 -31.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.53 17.94 20.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' HD11 ' A' ' 11' ' ' ILE . 76.8 mtm -96.77 137.81 35.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -76.7 56.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD21 ' HG3' ' A' ' 75' ' ' PRO . 30.9 mt -113.01 175.76 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.57 91.52 6.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.584 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 144.46 30.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.99 178.21 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -154.36 115.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.22 104.61 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.84 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.27 11.22 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -109.11 153.57 23.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.604 HD11 ' HG3' ' A' ' 40' ' ' MET . 5.6 mt -122.69 117.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.668 HH21 HG21 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -96.58 128.57 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.4 t -137.39 100.83 9.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 144.43 30.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 36' ' ' ILE . 1.2 mm -84.34 139.7 38.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HG3' HD21 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 155.67 42.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 73.87 84.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.57 137.33 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -80.55 146.7 31.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -99.27 148.73 23.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.16 -81.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.78 131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 t -72.08 129.76 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t 66.38 130.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 98.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 74.77 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -61.68 -67.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 36' ' ' ILE . 72.3 p -111.09 127.33 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -121.11 74.7 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.1 mp -124.71 -50.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -47.4 -39.48 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 11' ' ' ILE . 10.1 p-80 -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 10' ' ' HIS . 2.9 mt -56.11 155.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -118.68 148.66 42.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.7 t -117.3 131.24 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.23 114.5 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 p -105.78 162.07 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 63.03 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 176.47 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.12 -147.11 7.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 148.14 46.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 25' ' ' ILE . 19.1 m -147.09 168.74 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -81.58 154.16 26.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -67.59 -10.77 55.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.504 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 2.6 p-10 -103.45 26.84 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.754 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 51.2 mm-40 -123.24 -54.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.589 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 23.5 pt -69.12 -25.99 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.9 162.0 28.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -100.32 125.07 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -90.42 129.41 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.7 t -144.74 107.08 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.91 89.44 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -37.66 11.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -83.42 176.78 3.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.2 Cg_endo -74.99 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -126.03 42.81 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 74.2 t -148.28 120.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -91.82 142.95 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -117.99 120.54 38.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.788 ' O ' HD13 ' A' ' 69' ' ' LEU . 88.8 t -111.25 129.36 66.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -94.43 120.62 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.2 mmm -120.72 50.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.56 -29.44 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -93.15 -4.09 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 86.6 m-85 -148.19 64.36 8.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -13.59 21.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.91 -10.29 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 2.83 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 ' O ' HD12 ' A' ' 51' ' ' ILE . 84.8 m -51.32 -53.6 34.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.17 73.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.65 -53.85 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -55.0 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -39.89 -35.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -67.5 -66.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.33 -49.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.6 mp -54.63 -63.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -56.13 -41.52 75.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.58 -29.55 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -72.36 162.1 29.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.89 56.68 2.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' HD23 ' A' ' 61' ' ' LEU . 7.1 mtm -123.12 -38.58 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 62.19 13.51 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -64.68 168.53 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -121.03 86.13 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 153.17 41.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.5 mt-10 -106.87 178.03 4.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG2' HD11 ' A' ' 51' ' ' ILE . 4.9 p -155.83 118.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -127.31 104.71 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.48 -90.64 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.86 3.39 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.9 mm? -104.84 153.04 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 64' ' ' GLU . 24.0 mt -125.46 137.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -110.39 119.76 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.3 t -119.94 98.59 49.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -74.98 139.53 24.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.633 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.1 mm -86.88 141.28 33.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.633 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.95 164.11 34.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 97.12 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 79' ' ' SER . 9.6 p -73.16 153.91 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -72.39 -46.59 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HG13 ' A' ' 77' ' ' VAL . 79.4 p -70.47 161.08 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -121.91 6.89 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.75 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.43 116.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.91 169.69 9.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.25 -57.09 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 0.735 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -49.03 129.17 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 120.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -97.22 -54.46 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.773 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -127.4 -66.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 95.99 32.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 11' ' ' ILE . 13.5 mt -129.19 -45.1 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.23 -24.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 11' ' ' ILE . 2.2 p80 -87.24 -35.67 18.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 17.4 mt -49.98 152.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.22 138.05 51.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 25' ' ' ILE . 91.3 t -108.42 128.91 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.81 113.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' ALA . 82.5 p -90.92 -174.25 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.43 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.35 53.04 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.86 175.61 46.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 144.52 51.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CG2' ' A' ' 25' ' ' ILE . 27.7 m -148.82 166.87 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -84.11 151.05 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -60.18 -15.97 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.502 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 57.4 p30 -96.77 28.27 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 39.6 mm-40 -125.35 -54.55 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.524 ' CG2' HG21 ' A' ' 20' ' ' VAL . 17.5 pt -75.45 -42.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.17 154.98 16.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -97.82 110.49 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 36' ' ' ILE . 5.0 mt -80.57 124.85 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -148.26 105.37 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 86.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 -27.86 20.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -94.78 178.51 1.46 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.3 Cg_endo -75.02 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.557 1.819 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 21.5 mt-30 -130.16 42.09 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 73' ' ' PRO . 11.4 t -146.47 108.28 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 74' ' ' ILE . 3.0 mt -80.5 143.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.97 128.13 54.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -119.55 104.98 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -78.01 121.3 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 58.5 mmm -113.27 46.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.79 -24.69 59.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.572 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -97.01 3.34 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 42' ' ' SER . 80.5 m-85 -161.89 66.08 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.96 19.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -15.46 33.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.36 14.18 27.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 m -58.1 -55.06 39.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -57.03 -49.32 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.98 -55.8 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -52.73 -65.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -38.2 -52.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -51.89 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.92 -61.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.8 mp -43.5 -58.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -64.05 -24.09 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 4.8 mt-10 -104.3 24.86 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.492 ' OG ' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -95.52 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.6 45.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.433 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -162.69 127.18 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.936 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -72.68 58.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -93.34 166.79 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -120.1 90.48 44.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -75.0 136.9 21.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -103.84 171.51 7.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 51' ' ' ILE . 9.1 p -154.34 119.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -127.15 104.53 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.83 -81.86 0.23 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.1 p -141.68 15.38 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.6 135.25 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 64' ' ' GLU . 49.1 mt -103.21 126.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -102.13 111.96 24.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.5 t -116.41 100.84 53.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.93 138.12 22.78 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.8 mm -85.0 140.47 37.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.04 56.51 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.58 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.1 t 63.84 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -39.08 118.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.5 t -80.25 -62.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.61 156.45 44.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 63.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 m -66.22 140.5 58.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 p -177.48 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -73.48 84.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -77.84 117.05 18.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.9 -107.89 2.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -176.73 157.38 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 110.032 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -168.2 -59.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.61 38.2 51.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.852 HD11 HG11 ' A' ' 72' ' ' VAL . 3.9 mt -134.23 -46.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -52.11 -23.62 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -90.01 -35.76 15.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 57' ' ' SER . 18.8 mt -46.37 152.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.2 142.12 46.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 25' ' ' ILE . 64.4 t -114.45 125.14 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 19' ' ' LYS . 16.7 t -75.12 111.12 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -100.29 162.17 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.405 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 65.81 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 170.05 -33.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.19 -150.63 8.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -123.22 148.68 45.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG21 ' CG2' ' A' ' 25' ' ' ILE . 33.1 m -147.4 167.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -85.07 146.23 27.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -54.98 -19.83 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.6 p30 -93.46 31.05 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.0 mm-40 -128.13 -54.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 50' ' ' ALA . 19.1 pt -72.7 -36.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA3' HG12 ' A' ' 38' ' ' VAL . . . -125.63 156.15 19.25 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.94 111.35 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 36' ' ' ILE . 13.3 mt -79.77 123.59 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -148.4 114.72 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.07 84.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -87.47 -21.86 25.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -105.59 176.37 1.74 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.937 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.1 Cg_endo -75.03 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.6 mt-30 -140.09 47.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HG2' ' A' ' 71' ' ' ARG . 3.7 t -149.5 107.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.645 HG23 HG23 ' A' ' 28' ' ' ILE . 3.9 mt -82.73 116.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 69' ' ' LEU . 43.1 mt -92.9 130.7 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG12 ' HA3' ' A' ' 26' ' ' GLY . 49.3 t -121.14 102.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -74.25 118.95 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.5 mmm -106.29 33.14 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.65 -13.94 56.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -98.82 -14.85 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 42' ' ' SER . 52.7 m-85 -154.51 69.16 5.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.2 Cg_endo -75.04 -14.75 20.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.556 1.819 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.57 -10.05 50.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.83 12.89 18.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 65' ' ' VAL . 86.2 m -53.48 -57.46 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.65 -50.3 73.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.04 -53.17 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -54.5 -64.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.601 HD11 ' CG2' ' A' ' 65' ' ' VAL . 2.3 mt -37.49 -50.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -53.95 -65.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.28 -53.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 22' ' ' LEU . 3.1 mt -51.63 -59.69 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -61.22 -16.57 46.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mt-10 -88.09 -35.09 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -41.83 -41.21 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.25 43.46 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 73.3 mtm -128.79 140.5 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -74.9 57.61 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.4 mt -109.27 163.67 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -128.66 89.4 49.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -104.09 178.25 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.601 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.5 p -151.26 117.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -127.33 104.72 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.16 -83.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 44' ' ' PRO . 1.1 p -138.12 11.5 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 37' ' ' LEU . 2.1 mp -118.57 131.61 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 64' ' ' GLU . 66.5 mt -98.99 130.98 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -100.5 127.67 46.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 8' ' ' LEU . 1.5 t -131.46 97.58 19.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -74.96 132.13 15.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.5 mm -76.15 139.58 68.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.58 140.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -116.52 139.41 43.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 m -89.55 -64.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m 64.81 152.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.39 157.25 32.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.3 m -118.01 126.49 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 95.96 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -66.28 166.87 11.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.84 79.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.22 -122.6 5.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -110.54 96.89 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -43.27 164.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CE1' ' A' ' 10' ' ' HIS . . . -110.74 33.67 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 72' ' ' VAL . 43.7 mt -115.32 -36.34 4.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.47 -20.0 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 2.4 p-80 -89.37 -32.26 17.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' THR . 7.9 mm -43.74 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -132.63 136.33 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 25' ' ' ILE . 48.3 t -117.73 129.5 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.07 113.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -105.24 161.28 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.34 73.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.66 -33.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.52 -139.5 4.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -120.51 154.59 35.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 25' ' ' ILE . 26.9 m -153.14 168.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -86.49 147.5 25.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.87 -19.14 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 50.8 p-10 -95.31 33.68 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 41.9 mm-40 -130.27 -54.84 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 13' ' ' VAL . 24.7 pt -70.89 -21.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -152.49 170.0 31.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.163 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 121.3 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG23 ' CG2' ' A' ' 36' ' ' ILE . 8.7 mt -83.47 120.62 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -142.51 112.0 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 98.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.875 ' HB2' HD12 ' A' ' 37' ' ' LEU . 2.4 tppp? -73.8 -65.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.925 ' HB2' HG22 ' A' ' 35' ' ' VAL . 4.3 m -83.21 156.95 66.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 54.34 3.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 171.75 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.925 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.8 m -87.8 155.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.6 ' CG2' HG23 ' A' ' 28' ' ' ILE . 3.3 mt -115.57 116.09 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 31' ' ' LYS . 3.8 mt -84.54 151.0 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' C ' HD13 ' A' ' 69' ' ' LEU . 67.9 t -141.82 111.19 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.621 ' HA ' HD22 ' A' ' 69' ' ' LEU . 51.5 t-20 -79.94 132.21 36.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 43' ' ' PHE . 63.8 mmm -119.82 34.18 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.51 -15.33 60.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -13.79 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 39.2 m-85 -147.81 70.24 11.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.18 20.82 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -93.87 -12.82 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.73 17.8 20.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.3 m -59.79 -54.86 41.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -56.13 -48.9 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -39.73 -57.51 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.763 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -50.09 -62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.3 mt -42.93 -41.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.41 -67.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.61 -59.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.7 mp -47.59 -67.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -53.1 -22.87 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 5.4 mt-10 -99.88 23.85 9.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 p -113.4 30.99 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.77 38.98 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtt -106.14 -18.33 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 51.26 54.32 11.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -108.69 166.02 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.01 83.48 14.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.97 143.77 29.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.98 177.51 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG23 HG12 ' A' ' 70' ' ' ILE . 2.6 p -156.45 116.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.15 104.64 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.71 -86.5 0.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.91 11.22 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' ASN . 1.8 mm? -107.18 153.27 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 65' ' ' VAL . 14.6 mt -129.21 122.79 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.51 ' NE ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -106.3 130.93 54.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.0 t -122.73 106.12 34.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.723 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 125.62 9.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.825 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.3 mt -86.65 144.38 37.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.825 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 138.46 22.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 79.6 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.0 p -154.4 62.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -165.49 137.04 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.47 164.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.86 155.61 17.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 64.76 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.2 168.73 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.08 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 122.84 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -92.66 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.108 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -90.3 78.76 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' HD11 ' A' ' 36' ' ' ILE . 77.4 p -155.01 154.08 31.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.659 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -142.51 62.42 0.52 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 7' ' ' GLY . 10.9 mp -128.37 -50.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -28.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' LEU . 17.8 p-80 -87.54 -41.53 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD11 ' CE ' ' A' ' 59' ' ' MET . 15.3 mt -44.42 149.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 19' ' ' LYS . 1.9 m -111.83 141.18 45.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 60.4 t -112.64 134.82 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -82.07 111.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 20' ' ' VAL . 35.0 p -90.83 -174.51 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' THR . . . -38.53 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.47 55.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.52 176.71 48.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -129.0 151.25 49.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG22 ' CG2' ' A' ' 15' ' ' THR . 34.8 m -155.95 165.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -79.07 152.75 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -61.08 -18.18 56.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 51.1 p30 -97.3 35.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 34.3 mm-40 -132.11 -54.2 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 24.7 pt -69.84 -18.41 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.25 167.6 32.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.79 112.87 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 22' ' ' LEU . 5.9 mt -79.45 119.64 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -135.38 102.18 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.422 ' CG ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.89 86.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -52.63 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.86 30.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 18.5 Cg_endo -74.96 54.59 3.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' O ' ' CG1' ' A' ' 74' ' ' ILE . 2.2 mt-30 164.42 -38.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 71' ' ' ARG . 73.4 t -87.82 117.48 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 6' ' ' SER . 24.3 mt -93.27 132.13 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 71' ' ' ARG . 29.3 mt -113.52 130.14 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.731 ' O ' HD13 ' A' ' 69' ' ' LEU . 95.7 t -125.01 132.72 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.405 ' HA ' HD22 ' A' ' 69' ' ' LEU . 47.1 t-20 -99.81 121.93 42.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 57.4 mmm -117.69 35.13 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.54 -21.71 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -98.05 -8.68 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 89.4 m-85 -146.04 65.76 11.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.99 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -100.34 -13.41 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 14.39 23.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.0 m -59.04 -62.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.66 -48.76 63.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.14 -57.32 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.25 -63.33 1.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 65' ' ' VAL . 3.6 mt -41.98 -38.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -61.02 -68.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.93 -54.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.91 -59.54 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -59.5 -27.07 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' LYS . 46.3 mt-10 -73.62 -32.05 63.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' MET . 7.4 t -68.1 150.33 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -36.96 -32.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.52 76.19 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' LEU . 3.7 m-20 -41.49 -46.76 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 73' ' ' PRO . 4.7 mt 46.69 -172.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -139.45 77.18 29.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.98 147.06 33.49 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -103.93 178.14 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.625 ' CG2' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -152.13 118.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 1.4 mt-10 -127.26 104.57 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.97 -86.8 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -137.73 11.17 2.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -107.97 153.38 23.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.8 mt -127.11 134.87 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -114.65 114.04 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.598 HG22 ' HB3' ' A' ' 63' ' ' PRO . 2.1 t -112.66 98.53 44.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' O ' HD22 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 136.93 21.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.705 HG23 ' HD2' ' A' ' 75' ' ' PRO . 10.5 mm -107.91 142.14 24.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 163.63 34.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 77' ' ' VAL . 6.0 mttt -62.55 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 78' ' ' THR . 2.2 p 45.43 -170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 77' ' ' VAL . 2.8 p -136.19 153.03 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 t -91.71 -48.92 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.62 156.0 31.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 92.75 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.9 t -115.98 -58.17 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -168.06 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 62.14 136.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.0 -134.59 1.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 71.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -77.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 10' ' ' HIS . . . 113.07 60.05 0.42 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.691 ' CD1' HG21 ' A' ' 36' ' ' ILE . 21.1 mt -140.92 -47.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -48.36 -25.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 7' ' ' GLY . 7.8 p80 -82.8 -37.82 23.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.8 mt -47.68 157.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 50' ' ' ALA . 92.5 t -116.2 132.87 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.4 t -82.21 115.79 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.2 p -103.49 166.44 10.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.19 61.22 3.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 176.12 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.9 -156.62 17.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -112.93 152.96 28.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 19' ' ' LYS . 34.2 m -155.07 164.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.07 148.53 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -58.15 -18.54 26.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 56.4 p30 -95.81 33.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.587 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 31.2 mm-40 -130.49 -55.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' CG2' HG21 ' A' ' 20' ' ' VAL . 24.7 pt -69.21 -42.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -128.45 168.86 20.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -104.9 119.46 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.257 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.7 mt -80.79 124.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 t -141.88 104.35 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 93.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -70.54 -71.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 167.99 19.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 15.6 mt-30 -151.98 28.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.4 t -148.6 120.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 8' ' ' LEU . 3.7 mt -100.0 121.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' HG3' ' A' ' 71' ' ' ARG . 9.5 mt -97.83 131.94 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -124.28 104.62 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.492 HD22 HD11 ' A' ' 69' ' ' LEU . 14.0 t-20 -72.9 128.54 35.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.51 31.09 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.25 64.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.19 -9.28 36.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 35.7 m-85 -148.64 67.01 9.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.32 0.9 21.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.86 8.8 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.9 m -55.09 -53.16 59.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.89 -52.19 64.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.02 -58.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -48.75 -61.77 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -41.8 -60.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -44.88 -63.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.34 -62.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 22' ' ' LEU . 2.6 mp -46.12 -53.96 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -56.66 -49.45 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -32.08 70.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -60.11 143.83 51.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.69 58.77 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -126.54 -37.45 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 63.29 63.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 mt -116.73 168.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -116.43 86.54 18.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 148.72 35.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 70' ' ' ILE . 11.9 mt-10 -107.66 178.08 4.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' A' ' 51' ' ' ILE . 10.0 p -155.31 119.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.28 104.61 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.15 -84.79 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.02 14.17 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD23 HD13 ' A' ' 37' ' ' LEU . 3.8 mp -122.13 121.25 36.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 64' ' ' GLU . 68.0 mt -88.31 136.61 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' A' ' 37' ' ' LEU . 1.2 mtm-85 -110.12 123.15 49.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.7 t -118.19 97.68 50.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.05 128.07 11.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -86.65 139.47 33.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.1 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.35 138.2 43.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.8 t -44.18 124.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.7 m -105.13 -62.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.5 t -91.62 105.67 17.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.65 106.85 0.35 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.82 -64.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 p -171.02 105.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 58.68 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.71 -92.13 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.52 85.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -65.83 154.46 39.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.658 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -140.03 57.01 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 72' ' ' VAL . 10.9 mp -127.36 -46.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -44.71 -34.45 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -79.83 -38.56 32.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' A' ' 57' ' ' SER . 29.5 mt -48.48 149.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -113.17 141.02 47.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' ' HG ' ' A' ' 22' ' ' LEU . 53.2 t -114.88 132.84 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.89 114.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.1 p -114.07 178.2 4.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.94 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.03 -46.91 44.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.29 -104.7 0.22 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.62 143.76 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 25' ' ' ILE . 30.3 m -150.8 162.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.685 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -75.44 156.31 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.995 HD11 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -66.68 -17.34 64.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' NE2' ' A' ' 24' ' ' GLN . 13.4 p30 -96.93 29.55 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 33.8 mm-40 -125.01 -55.69 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 50' ' ' ALA . 27.1 pt -69.96 -22.97 24.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.16 157.97 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -93.09 109.38 20.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.604 HG12 HG22 ' A' ' 38' ' ' VAL . 26.5 mt -79.45 122.93 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 102.51 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 103.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -70.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -75.18 169.05 22.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.06 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 1.4 mt-30 -159.44 43.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG11 ' HD3' ' A' ' 71' ' ' ARG . 53.3 t -148.45 120.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.499 HD11 HD11 ' A' ' 74' ' ' ILE . 5.0 mt -101.14 107.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 71' ' ' ARG . 20.5 mt -90.17 135.82 33.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 HG12 ' A' ' 28' ' ' ILE . 39.1 t -138.13 107.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -79.97 128.04 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.7 mmm -117.1 36.47 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.15 -24.49 66.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -96.49 0.21 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 77.4 m-85 -156.55 65.95 4.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -95.87 -10.19 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.41 19.05 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.407 ' CG2' HG21 ' A' ' 65' ' ' VAL . 70.2 m -64.71 -63.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -51.38 -48.3 62.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.3 -57.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.07 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.837 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.5 mt -39.02 -59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -44.75 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -60.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 22' ' ' LEU . 1.6 mp -46.6 -51.7 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HE ' HG22 ' A' ' 51' ' ' ILE . 1.2 mtt180 -58.45 -26.33 63.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 14.6 mt-10 -87.98 -28.51 21.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 11' ' ' ILE . 40.3 t -37.7 -40.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.84 29.37 2.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.532 ' CE ' HD11 ' A' ' 11' ' ' ILE . 1.3 mtt -114.6 -25.25 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 13.27 9.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' CB ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -55.27 171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -119.68 86.56 35.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' HG2' HG23 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.93 140.61 25.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.14 155.31 18.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.837 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.5 p -146.0 128.35 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.85 104.35 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.44 -85.76 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.68 7.5 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 2.5 mm? -107.56 153.34 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.42 122.79 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.608 ' HG3' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.5 118.33 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 8' ' ' LEU . 1.7 t -114.01 101.3 53.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.09 119.27 5.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 75' ' ' PRO . 6.6 mm -74.2 140.58 76.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.08 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.4 m -101.52 14.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 t -136.55 46.05 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.81 164.78 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 55.62 178.81 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 78.98 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.6 p -95.55 162.13 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p 45.84 86.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.13 156.37 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 0.743 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.82 125.17 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.95 127.68 38.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -59.97 122.63 14.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.85 141.68 54.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.91 59.89 0.47 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 72' ' ' VAL . 10.7 mp -130.29 -48.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.64 -30.34 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -82.79 -31.82 28.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.1 mt -59.46 145.65 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -108.22 140.44 41.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' CD1' ' A' ' 25' ' ' ILE . 58.7 t -110.16 127.22 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.82 114.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -103.78 174.16 5.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.93 68.25 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 168.32 -33.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.09 -142.56 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -127.99 152.03 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CG2' ' A' ' 25' ' ' ILE . 28.1 m -150.7 166.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -80.92 153.45 27.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.27 -12.57 52.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -101.05 30.06 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 32.6 mm-40 -128.33 -53.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.638 ' CG2' HG21 ' A' ' 20' ' ' VAL . 19.1 pt -73.61 -28.45 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.9 152.42 22.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -94.78 115.04 27.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 36' ' ' ILE . 7.6 mt -78.97 122.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 t -144.23 104.48 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.8 116.62 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -98.54 -64.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.526 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -82.88 179.14 2.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 18.4 Cg_endo -74.98 -9.46 20.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -158.22 48.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG13 ' HG2' ' A' ' 71' ' ' ARG . 54.2 t -148.36 118.87 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 mt -99.23 112.99 32.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -93.06 127.73 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 28' ' ' ILE . 70.3 t -119.56 102.95 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -73.57 118.86 17.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.6 mmm -109.37 38.99 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.95 -21.62 64.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -93.59 -15.08 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 89.4 m-85 -149.46 68.78 9.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . 18.3 Cg_endo -74.98 -18.94 18.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -15.18 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.51 16.21 23.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 108.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.7 m -58.53 -57.56 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . . . -55.99 -48.03 76.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' ALA . . . -40.1 -57.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -50.56 -62.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.584 HD11 HG23 ' A' ' 65' ' ' VAL . 3.5 mt -42.24 -41.72 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.47 -65.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.87 -60.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 HH21 ' A' ' 55' ' ' ARG . 2.7 mt -51.09 -57.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 HH21 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -50.39 -47.55 56.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.78 -36.25 83.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -20.74 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.94 65.9 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -116.83 17.67 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.4 21.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' NH2' ' A' ' 55' ' ' ARG . 20.0 mt -82.26 -172.93 4.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -158.41 83.76 2.63 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.538 ' CD ' ' NE ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 146.92 33.14 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 70' ' ' ILE . 7.9 mt-10 -108.58 178.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG23 HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -148.88 112.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -127.45 104.29 7.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 -83.42 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -145.01 17.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.8 . . . . 0.0 110.326 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD23 HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -123.35 117.02 24.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 64' ' ' GLU . 81.3 mt -86.32 140.37 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HG2' HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -110.79 130.91 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 8' ' ' LEU . 1.6 t -129.57 98.03 23.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.1 Cg_endo -75.06 128.98 11.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.781 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 75' ' ' PRO . 4.4 mm -83.25 139.86 42.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.92 120.56 6.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HD3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -179.08 158.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG22 ' HD3' ' A' ' 76' ' ' LYS . 4.2 m -57.94 111.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 t -40.82 143.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.37 132.86 34.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.82 156.84 4.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.55 26.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.4 t -133.4 137.51 45.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m 63.94 136.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -68.91 -58.15 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.35 -55.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.67 171.84 14.12 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -132.84 -62.57 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -44.62 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 83.19 52.83 3.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.088 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.3 mp -125.49 -49.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 1.2 m-20 -46.81 -32.4 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG13 ' A' ' 11' ' ' ILE . 9.9 p-80 -81.69 -38.33 26.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 59' ' ' MET . 7.1 mt -50.59 146.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' HD2' ' A' ' 19' ' ' LYS . 2.6 m -112.49 142.48 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 25' ' ' ILE . 98.0 t -118.37 122.6 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.11 108.98 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 46' ' ' CYS . 31.2 p -109.09 -175.14 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -65.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.19 -56.97 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.41 -100.12 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -127.94 142.15 51.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.546 HG21 HG23 ' A' ' 25' ' ' ILE . 21.2 m -146.49 168.68 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . . . -83.26 149.46 26.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -58.28 -20.86 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' NE2' ' A' ' 24' ' ' GLN . 4.0 p-10 -95.38 31.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 45.1 mm-40 -127.31 -53.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 26.4 pt -71.67 -24.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 39' ' ' ASN . . . -151.48 177.39 29.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.86 121.54 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' A' ' 36' ' ' ILE . 4.2 mt -80.08 117.18 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -139.18 111.14 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.836 ' HB2' HD12 ' A' ' 37' ' ' LEU . 1.2 tptp -60.26 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.838 ' HB2' HG22 ' A' ' 35' ' ' VAL . 15.1 m -90.26 156.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 54.56 3.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 172.71 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 32' ' ' SER . 1.1 m -99.61 146.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 28' ' ' ILE . 2.7 mp -108.29 113.32 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.978 HD13 HD23 ' A' ' 69' ' ' LEU . 4.0 mt -83.0 142.09 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . 94.4 t -131.15 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CA ' ' A' ' 26' ' ' GLY . 50.5 t-20 -75.92 128.57 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 mmm -118.06 28.42 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -96.27 -16.87 21.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 38.2 m-85 -144.96 70.26 14.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.01 16.25 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.38 -18.5 15.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.93 14.23 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' ILE . 86.3 m -56.87 -46.96 81.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.77 76.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.48 1.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 54' ' ' ILE . . . -51.28 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.516 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -39.84 -38.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -64.03 -67.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.18 -53.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 50' ' ' ALA . 2.4 mp -50.66 -64.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -23.61 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -105.88 23.99 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 29.6 m -110.42 37.59 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.32 37.9 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 11' ' ' ILE . 2.9 mtm -111.88 -31.96 6.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 58.59 64.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 59' ' ' MET . 32.6 mt -120.73 170.25 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -116.59 85.63 17.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HG3' ' CG2' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.97 151.58 39.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 70' ' ' ILE . 2.6 mt-10 -110.61 177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.516 ' HB ' HD11 ' A' ' 51' ' ' ILE . 7.2 p -155.31 119.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -127.14 104.54 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.0 -80.45 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.54 17.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.978 HD23 HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -121.02 115.18 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 64' ' ' GLU . 96.7 mt -90.72 136.38 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.12 135.79 53.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 72' ' ' VAL . 1.4 t -128.45 102.52 20.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HA ' HG12 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 137.08 21.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.799 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.4 mt -98.29 144.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.799 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.99 133.27 16.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -47.71 45.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 t -118.21 83.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -90.01 162.21 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -101.32 76.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -123.81 76.23 0.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -50.77 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 t -173.46 129.87 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -70.92 -58.17 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.976 . . . . . . . . 0 0 . 1 stop_ save_