data_1xz9_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 1xz9 _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 ' 13' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 92' ' ' LEU . 24.3 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.498 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.583 ' HG3' ' HB3' ' A' ' 25' ' ' LEU . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.718 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.583 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.486 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.576 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' CG ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.718 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 70' ' ' SER . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 92' ' ' LEU . 1.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.527 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.751 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.751 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' CB ' HD22 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.471 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG23 ' CD1' ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.489 ' CD1' HG23 ' A' ' 66' ' ' VAL . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 64' ' ' LEU . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 75' ' ' SER . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.42 ' O ' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.577 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 92' ' ' LEU . 2.6 pt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.671 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.531 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.618 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.636 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.671 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' C ' HG13 ' A' ' 42' ' ' VAL . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' OD2' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 71' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.491 ' HE3' ' CD1' ' A' ' 25' ' ' LEU . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.423 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.45 HG21 ' N ' ' A' ' 95' ' ' ALA . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.545 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.654 ' CD1' ' CD1' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 6.8 ptmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD21 ' CB ' ' A' ' 29' ' ' ALA . 6.0 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.504 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.622 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.748 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.654 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' C ' HG12 ' A' ' 42' ' ' VAL . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.481 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.499 ' CB ' ' HE2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.598 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.553 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 92' ' ' LEU . 29.4 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.637 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 21.5 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.593 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 26' ' ' SER . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.519 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.674 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 71' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.503 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' N ' ' HA ' ' A' ' 65' ' ' SER . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 70' ' ' SER . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.406 ' CE ' HG23 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' LEU . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 18' ' ' LYS . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.551 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CD2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 29' ' ' ALA . 6.7 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.713 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 47' ' ' LYS . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 2.5 tt0 -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.544 ' HG ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' CB ' HD12 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.481 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.582 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.479 ' CG1' HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.552 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.585 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.545 ' CD1' HD12 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.478 ' N ' HD21 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.526 ' CG2' ' HB3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG23 ' CB ' ' A' ' 61' ' ' ASP . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.412 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.609 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.552 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.577 ' CG2' ' O ' ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CG1' HD23 ' A' ' 92' ' ' LEU . 18.8 pt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 ' CD1' HD22 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' N ' HD21 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.583 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' O ' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.433 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.57 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.494 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.57 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.556 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.497 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.708 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD12 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.566 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD22 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HD12 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.513 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.708 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' CG ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.489 HD22 ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.425 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.489 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 3.8 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.694 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.609 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 39' ' ' GLY . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CB ' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.565 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' SD ' ' A' ' 23' ' ' MET . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.428 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' A' ' 92' ' ' LEU . 23.9 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.605 ' O ' ' C ' ' A' ' 24' ' ' GLY . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.679 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 26' ' ' SER . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.528 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.546 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 6.9 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.593 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' CE ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.679 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.716 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.514 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.578 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.543 ' CD2' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' CG1' ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' HD23 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.556 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.551 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.617 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.719 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.719 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 94' ' ' VAL . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG2' HD11 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' CG ' HD12 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.433 HD12 ' CG ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.627 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 91' ' ' THR . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 14.3 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.48 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.524 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.638 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 2.2 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' A' ' 50' ' ' ALA . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.571 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' CD2' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.446 ' CB ' ' HB3' ' A' ' 92' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' N ' ' HA ' ' A' ' 65' ' ' SER . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.7 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' N ' HG21 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 94.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' HD22 ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.496 ' N ' HD21 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' CB ' ' A' ' 61' ' ' ASP . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.554 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.53 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.763 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 31.9 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 ' CB ' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.46 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 92' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 70' ' ' SER . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CB ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 91' ' ' THR . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.572 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG2' ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.52 ' N ' ' CG2' ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD21 ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.555 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.478 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 13.5 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 25' ' ' LEU . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.542 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HA ' HG13 ' A' ' 42' ' ' VAL . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.59 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' OD1' ' CG2' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.49 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ARG . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.422 ' CG2' ' OD1' ' A' ' 61' ' ' ASP . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 94' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.429 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.595 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.637 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.502 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.598 ' CG1' ' HB2' ' A' ' 43' ' ' LYS . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.558 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.558 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 4.2 mp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.564 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.637 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.543 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' CD ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.427 HD12 ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 92' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.571 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.513 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.483 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 29' ' ' ALA . 7.4 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.569 ' O ' ' CE1' ' A' ' 41' ' ' TYR . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.763 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 50' ' ' ALA . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.506 ' CG ' ' CG ' ' A' ' 54' ' ' ASP . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' CB ' HD21 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.491 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.491 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 70' ' ' SER . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.483 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 69' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.48 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.591 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.591 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' CG2' ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 78.1 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' N ' HD23 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.562 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.715 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.543 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.575 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.769 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.769 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.509 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.509 ' N ' ' HA ' ' A' ' 65' ' ' SER . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 70' ' ' SER . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 25' ' ' LEU . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.507 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.466 ' CG2' ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 HD21 ' CA ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.535 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 24' ' ' GLY . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' HD12 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.527 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 61' ' ' ASP . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.55 HG13 ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.623 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.665 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.665 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 94' ' ' VAL . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ARG . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.546 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.546 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 86' ' ' THR . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.466 ' OG1' ' CG2' ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 95' ' ' ALA . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' LEU . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.675 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.606 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.577 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.675 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' CD1' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 70' ' ' SER . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.468 ' O ' ' HE1' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LEU . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.531 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.68 20.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -87.57 159.67 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.18 135.8 2.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.7 -66.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.83 174.44 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -58.39 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 53.59 174.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.86 -53.96 1.72 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -75.01 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 82.29 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' OE1' ' A' ' 93' ' ' GLU . 6.0 tt -107.31 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 92' ' ' LEU . 24.3 mm -108.43 128.37 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.583 ' HG3' ' HB3' ' A' ' 25' ' ' LEU . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.718 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.583 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.486 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.53 108.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.01 161.97 9.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.0 40.68 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.741 . . . . 0.0 109.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.61 -104.95 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.1 16.63 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.782 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 60.06 39.84 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 pttp 178.77 91.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -90.17 141.65 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.576 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.531 ' CG ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.718 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 70' ' ' SER . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.458 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' CG1' ' A' ' 12' ' ' ILE . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.2 159.77 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -113.45 -177.94 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -105.31 -28.76 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.34 113.54 0.56 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . -172.13 -179.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.525 ' CG2' ' O ' ' A' ' 100' ' ' ILE . 6.1 tp 31.33 69.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.39 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.62 62.82 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.37 75.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 125.62 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.64 62.96 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -169.3 127.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.39 107.2 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 162.62 55.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 79.0 -73.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -98.89 99.9 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 92' ' ' LEU . 1.7 mp -107.04 128.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.527 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER 177.5 108.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.86 159.65 9.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.17 43.73 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.58 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -113.77 0.02 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.35 34.95 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.53 81.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -90.19 131.51 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.751 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.751 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' CB ' HD22 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.471 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG23 ' CD1' ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' CD1' HG23 ' A' ' 66' ' ' VAL . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 64' ' ' LEU . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 75' ' ' SER . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.42 ' O ' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.577 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 86' ' ' THR . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.23 177.23 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.13 -63.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.81 109.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.78 90.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 57.44 105.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mm -128.47 150.32 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.3 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.6 104.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 68.38 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -65.59 137.14 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tp 61.62 64.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 96.04 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttm 49.02 46.97 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 64.97 89.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 95' ' ' ALA . 3.8 tp10 -141.36 92.95 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 pt -74.78 170.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 92' ' ' LEU . 2.6 pt -154.93 129.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.671 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.531 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.618 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.636 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 26.6 tttt -81.95 108.18 15.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.34 132.64 1.38 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.65 44.6 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.22 -126.99 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 24.02 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 14.5 m-20 59.06 36.58 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 166.06 92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt -88.57 140.48 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.671 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' C ' HG13 ' A' ' 42' ' ' VAL . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' OD2' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 71' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.491 ' HE3' ' CD1' ' A' ' 25' ' ' LEU . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.423 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 11' ' ' GLU . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -175.53 167.92 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.32 79.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 172.99 90.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.5 140.38 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.91 156.83 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 tp -173.03 130.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.08 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.21 173.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -148.12 6.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 p -63.17 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.58 87.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 177.58 -63.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.89 111.03 21.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.98 171.26 7.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.03 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 154.83 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.237 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 12.0 pt -101.0 169.77 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 92' ' ' LEU . 2.8 tp -167.6 128.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.545 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.654 ' CD1' ' CD1' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 6.8 ptmm? -90.03 108.19 19.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.3 163.59 11.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.65 36.97 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.11 -71.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -156.75 28.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.6 39.51 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 177.74 128.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD21 ' CB ' ' A' ' 29' ' ' ALA . 6.0 tt -139.8 142.21 36.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.504 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.622 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.748 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.748 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.654 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' C ' HG12 ' A' ' 42' ' ' VAL . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.481 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.499 ' CB ' ' HE2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.598 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.553 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 11' ' ' GLU . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.81 151.24 38.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.32 -66.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -176.55 137.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' PRO . . . 47.0 -104.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 70.25 161.49 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -176.36 141.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.78 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.63 -66.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 171.51 12.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -166.69 173.4 9.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -123.29 -64.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.04 122.81 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -169.89 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.81 -56.3 12.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.3 Cg_endo -75.06 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 81.06 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 tt -112.65 110.04 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 92' ' ' LEU . 29.4 mm -111.92 126.34 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.637 ' O ' ' C ' ' A' ' 19' ' ' LYS . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 18' ' ' LYS . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 21.5 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.593 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 26' ' ' SER . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 10.9 tttt -172.56 108.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.48 169.44 11.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.07 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.68 -110.94 0.43 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.82 19.2 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 m-20 59.17 34.94 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 175.65 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt -140.51 146.41 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.674 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 71' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.503 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' N ' ' HA ' ' A' ' 65' ' ' SER . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 70' ' ' SER . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.406 ' CE ' HG23 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' LEU . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.78 153.55 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER 72.87 66.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.23 82.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.78 157.38 47.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.79 -67.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.9 -68.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.58 99.29 10.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.62 -85.52 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 59.21 159.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.35 137.28 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -143.3 177.44 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.71 138.82 40.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 3.2 mm-40 166.67 -55.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.01 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER 157.88 -91.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -115.71 169.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt -157.82 128.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 18' ' ' LYS . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.551 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CD2' ' CG1' ' A' ' 45' ' ' VAL . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -89.7 108.25 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.97 170.11 14.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.21 36.52 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.41 -64.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -159.25 25.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.35 38.8 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 5.3 ttpt 178.93 127.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 29' ' ' ALA . 6.7 tt -140.31 146.23 38.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.713 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 47' ' ' LYS . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 2.5 tt0 -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.544 ' HG ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' CB ' HD12 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.481 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.582 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.479 ' CG1' HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.6 165.66 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.07 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.72 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -138.59 153.81 22.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 178.38 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 pt -54.34 170.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.56 -66.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.98 96.94 2.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -172.31 139.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -156.05 -68.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 120.52 21.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 176.92 167.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 159.52 0.67 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.78 17.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 94' ' ' VAL . 9.4 tt0 -128.09 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -74.69 110.33 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -98.57 129.47 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.552 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' HD23 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.585 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.545 ' CD1' HD12 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.478 ' N ' HD21 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.526 ' CG2' ' HB3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -86.48 108.39 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.64 176.39 18.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.2 35.2 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.69 -79.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -142.29 28.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER 54.37 39.62 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER 178.26 132.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 8.3 tt -139.86 153.21 46.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG23 ' CB ' ' A' ' 61' ' ' ASP . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.412 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.609 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.552 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.577 ' CG2' ' O ' ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -157.54 152.0 25.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -68.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -140.14 -175.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.06 136.62 12.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 176.2 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 tt -167.7 167.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.74 6.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.23 124.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.11 -177.22 20.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 p -154.28 151.44 29.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.58 175.41 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.58 100.14 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 2.2 mm-40 172.83 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.0 168.28 25.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 93' ' ' GLU . 1.2 tp10 80.74 -58.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -123.73 101.31 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CG1' HD23 ' A' ' 92' ' ' LEU . 18.8 pt -103.46 132.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' CD1' HD22 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' N ' HD21 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 108.14 19.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.63 141.53 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.45 35.35 22.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.29 -97.23 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -133.78 28.45 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 31.7 m-20 53.39 39.72 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.1 ttpt 164.89 96.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -89.79 156.06 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.583 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' O ' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.433 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.57 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.494 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.57 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.556 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.09 159.96 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -153.89 -65.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -167.39 147.82 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.51 -172.08 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.77 177.88 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 101' ' ' TYR . 34.2 mm -128.33 152.43 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 Cg_endo -75.04 -37.14 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.3 mt 63.63 -79.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 87.34 124.84 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.84 169.07 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.0 156.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -82.38 77.33 9.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -177.91 173.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER 74.03 167.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.02 -178.84 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 4.1 tt0 83.44 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -99.5 111.12 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm -114.4 128.76 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.708 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD12 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.566 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -165.9 108.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -174.19 16.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.95 35.68 19.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.64 -106.09 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.4 pt20 -97.8 23.33 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 4.7 m-20 60.14 40.11 18.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 163.66 142.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt -139.97 125.32 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' CG2' HD22 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HD12 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.708 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' CG ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.489 HD22 ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.425 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.38 157.04 37.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 179.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.6 105.62 17.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.88 -170.51 26.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -177.21 135.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 73.84 167.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 57.51 4.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.2 mt -147.56 174.17 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.95 -157.4 14.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -83.96 -58.31 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.65 101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 101.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 179.0 124.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.19 -53.34 23.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.07 112.06 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.0 mm-40 160.42 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 tt -101.32 169.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp -172.43 128.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.489 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 3.8 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.694 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' HD12 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.609 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 39' ' ' GLY . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -169.94 108.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.54 161.83 9.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.55 36.75 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.75 -100.14 0.14 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.14 19.6 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 37.08 21.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 92.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt -88.94 150.24 22.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 ' CG1' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HA ' ' CG1' ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CB ' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.565 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.41 ' SD ' ' SD ' ' A' ' 23' ' ' MET . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.522 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.428 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.05 159.61 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.8 -69.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.57 130.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.39 -61.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.51 137.53 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 pt -144.02 174.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.12 4.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -135.81 -68.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.51 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -67.68 178.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.79 172.5 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.14 -173.51 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.43 102.82 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -79.83 -48.37 1.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.99 -62.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 93' ' ' GLU . 6.0 tp10 69.32 -76.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.95 110.3 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' A' ' 92' ' ' LEU . 23.9 mm -118.86 127.03 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.605 ' O ' ' C ' ' A' ' 24' ' ' GLY . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.679 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 26' ' ' SER . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.528 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.546 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.593 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt -88.85 108.21 19.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.83 129.21 1.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.11 41.67 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.32 -134.45 2.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.38 17.97 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 59.39 37.35 23.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.83 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 6.9 tt -89.56 154.92 19.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.593 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' CE ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.679 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.716 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.514 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.578 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.543 ' CD2' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.97 148.35 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.4 tttt -177.1 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 7.3 tm0? 81.71 130.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 -55.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.71 149.18 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.31 -36.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 175.9 10.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.72 139.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.77 174.24 46.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.31 154.69 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.41 150.55 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.67 168.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -146.52 100.18 3.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 158.59 60.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.34 38.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' CB ' ' HA ' ' A' ' 95' ' ' ALA . 26.4 tp10 -146.73 78.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.63 110.21 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' CG1' ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp -97.05 129.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' HD23 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.556 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.551 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt -89.47 108.17 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.91 145.52 4.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.51 41.02 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.74 -109.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.6 tt0 -111.19 11.19 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.5 m-20 60.21 36.97 20.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 14.8 ptpt -179.94 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -89.16 170.12 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.617 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.719 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.719 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 94' ' ' VAL . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG2' HD11 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' CG ' HD12 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.433 HD12 ' CG ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.476 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.627 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 91' ' ' THR . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -165.17 176.47 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.4 57.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.18 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.82 -179.25 35.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -179.66 118.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt -105.08 -176.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.02 176.0 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.21 -149.89 7.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -177.56 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 179.99 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -46.6 125.52 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -169.27 115.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 61.53 111.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 11.3 tp10 -138.6 100.19 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 13' ' ' ILE . 1.3 pp -74.77 169.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 14.3 mm -152.83 134.39 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.48 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.524 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.638 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -82.43 107.91 15.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.9 156.55 8.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.99 36.93 23.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.38 -120.91 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.74 12.46 29.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.81 38.37 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.81 82.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 2.2 mp -81.45 153.01 27.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.725 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.687 ' N ' ' O ' ' A' ' 50' ' ' ALA . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.571 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' CD2' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.446 ' CB ' ' HB3' ' A' ' 92' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' N ' ' HA ' ' A' ' 65' ' ' SER . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.7 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 83' ' ' MET . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 11' ' ' GLU . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' N ' HG21 ' A' ' 94' ' ' VAL . . . -165.4 152.63 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -172.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -53.84 -35.8 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.39 8.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.2 79.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.6 mt -95.04 116.36 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 19.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -163.8 151.86 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 163.91 18.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.39 -48.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.45 160.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -151.24 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.02 -71.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -39.12 99.82 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.25 42.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' O ' ' O ' ' A' ' 94' ' ' VAL . 2.2 tt0 -147.96 97.49 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' C ' HG13 ' A' ' 13' ' ' ILE . 6.2 pt -74.84 168.5 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 HG13 ' C ' ' A' ' 12' ' ' ILE . 94.3 mt -149.4 129.24 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' HD22 ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.496 ' N ' HD21 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.655 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt -150.37 108.6 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.37 -117.29 0.76 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.5 34.88 25.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.34 64.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -119.74 -5.98 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 1.6 m-20 60.0 34.93 21.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 175.77 156.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 1.5 tt -152.83 135.3 15.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' CB ' ' A' ' 61' ' ' ASP . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.53 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.763 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' ALA . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 96' ' ' LYS . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' CB ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 31.9 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' CB ' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.46 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 92' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 70' ' ' SER . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CB ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 91' ' ' THR . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.572 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.52 ' CG2' ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.52 ' N ' ' CG2' ' A' ' 94' ' ' VAL . . . -161.64 154.56 20.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' GLY . 4.3 ttpm? -159.63 142.78 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -90.8 75.24 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.4 -148.03 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.32 177.4 10.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt 59.04 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.97 39.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.67 107.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 165.29 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -88.72 167.8 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.61 142.3 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -123.73 156.79 35.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 83.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.17 157.61 76.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.7 tt0 83.66 -68.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.9 tt -117.08 109.04 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -110.9 128.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD21 ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.555 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.478 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 13.5 ptmt -89.29 108.14 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.37 165.79 15.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.6 37.66 28.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.66 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -135.46 26.58 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 20.0 m-20 58.59 40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 1.4 ptmm? -179.77 131.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt -139.74 145.08 37.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 25' ' ' LEU . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CD ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.542 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HA ' HG13 ' A' ' 42' ' ' VAL . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.59 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' OD1' ' CG2' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.49 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ARG . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.422 ' CG2' ' OD1' ' A' ' 61' ' ' ASP . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.02 116.32 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -143.07 138.24 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -74.2 96.82 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.34 -89.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 67.01 -177.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.253 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 pt -149.54 178.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.64 35.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.67 164.46 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 -165.76 13.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -121.97 -46.37 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.64 123.43 23.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.37 140.34 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -136.26 147.67 61.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.4 Cg_endo -75.01 -62.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 87.79 -72.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 tt -102.4 105.95 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 94' ' ' VAL . 8.8 mt -111.19 129.27 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.595 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.637 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.502 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.598 ' CG1' ' HB2' ' A' ' 43' ' ' LYS . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.558 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -85.05 108.2 17.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.56 161.95 11.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.0 37.75 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.59 -82.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -149.49 29.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.45 39.89 21.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.512 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 14.9 pttp -179.84 142.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.558 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 4.2 mp -139.48 151.84 46.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.564 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.637 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.543 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' CD ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.427 HD12 ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' CA ' ' O ' ' A' ' 11' ' ' GLU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.78 172.86 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 -168.3 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -124.64 88.17 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.14 -111.38 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.09 179.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.724 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.77 -37.38 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp 63.88 94.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -95.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' ARG . 81.6 p -134.32 96.25 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER 66.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -117.27 62.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -45.15 157.78 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 76.99 -71.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 tt -107.08 104.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -113.24 130.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.571 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.483 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -90.13 108.33 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.34 171.49 15.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.9 34.87 20.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -78.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 6.1 tm0? -142.88 23.9 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 57.08 39.87 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 6.9 mttt 175.67 130.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 29' ' ' ALA . 7.4 tt -139.89 148.02 41.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.569 ' O ' ' CE1' ' A' ' 41' ' ' TYR . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.763 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.763 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 50' ' ' ALA . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' CG ' ' CG ' ' A' ' 54' ' ' ASP . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' CB ' HD21 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.491 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.491 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 70' ' ' SER . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.483 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 69' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.48 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' HG12 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.591 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.591 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' CG2' ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.32 159.9 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -114.6 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.11 82.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.26 76.16 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.33 177.81 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.49 144.97 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.98 97.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.43 -138.65 5.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -73.45 157.13 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -52.13 -64.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 176.36 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.53 55.78 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 66.41 100.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 94' ' ' VAL . 20.9 tt0 -147.26 151.31 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.11 109.79 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 78.1 mt -106.44 129.69 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' N ' HD23 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' HD22 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.562 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.715 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.543 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -179.73 108.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.05 175.99 14.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.93 36.9 23.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 35' ' ' GLN . . . -173.66 -86.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -129.03 10.48 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.82 21.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.49 102.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -81.75 169.22 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.575 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.769 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.769 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.509 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.509 ' N ' ' HA ' ' A' ' 65' ' ' SER . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 70' ' ' SER . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 25' ' ' LEU . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.523 ' O ' ' O ' ' A' ' 11' ' ' GLU . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -167.32 158.96 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -179.0 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -176.95 77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.29 -167.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.05 69.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 tp 43.22 62.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.43 166.28 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.26 171.47 21.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.587 1.179 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 159.58 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.32 176.8 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.39 85.06 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 5.1 tmtt? -174.84 67.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 167.78 -56.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.97 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CB ' ' HA ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -118.19 87.76 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' C ' HG13 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -77.88 168.7 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt -153.04 129.57 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.466 ' CG2' ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 HD21 ' CA ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 24' ' ' GLY . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' HD12 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 40' ' ' ILE . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.6 108.56 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 38' ' ' LEU . . . 165.37 -111.03 0.44 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.82 34.8 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.94 13.95 28.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -123.02 -3.39 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.06 34.9 18.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.92 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -90.29 158.8 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.527 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 61' ' ' ASP . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.55 HG13 ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.623 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.665 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.665 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 94' ' ' VAL . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ARG . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 63' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 70' ' ' SER . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.546 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.546 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 86' ' ' THR . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.466 ' OG1' ' CG2' ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 95' ' ' ALA . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -169.19 168.9 9.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -165.44 168.6 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -93.75 91.03 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.28 -103.51 0.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 73.27 147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.38 142.47 28.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.05 3.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.35 96.97 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 -156.12 21.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 60.21 105.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.51 154.85 42.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -56.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -42.92 142.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.52 110.46 2.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.0 -61.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 6.5 tt0 89.99 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -89.87 110.43 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 10' ' ' PRO . 2.0 mp -123.76 129.96 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' LEU . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.675 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 42' ' ' VAL . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.606 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER -173.5 108.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.35 175.34 15.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.97 34.89 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.68 -80.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -138.28 25.39 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 70.8 m-20 54.13 40.08 31.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER 177.12 136.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt -139.89 143.78 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.577 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.675 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' CD1' ' HG ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' LYS . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.494 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' N ' ' HA ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 70' ' ' SER . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.468 ' O ' ' HE1' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LEU . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.531 ' CG2' ' HB2' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 62' ' ' GLN . . . -138.87 156.5 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER 73.93 158.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 173.77 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.81 91.83 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.79 -174.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.28 148.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.525 ' CG1' HG22 ' A' ' 94' ' ' VAL . 24.3 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.647 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.772 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.717 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.974 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.974 ' N ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CG2' HD11 ' A' ' 25' ' ' LEU . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.717 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.695 HG21 HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG13 ' CD2' ' A' ' 25' ' ' LEU . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.717 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.649 ' CG2' HD13 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 71' ' ' LEU . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.665 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 94' ' ' VAL . 1.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.603 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 2.2 m-80 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.635 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.055 ' N ' HD12 ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.665 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.75 HG22 HD11 ' A' ' 25' ' ' LEU . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 45' ' ' VAL . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.75 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.913 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.752 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.448 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.865 HG11 HD22 ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HG2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.506 ' O ' HD11 ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 74' ' ' LEU . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.66 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 13' ' ' ILE . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.002 HD12 HD23 ' A' ' 92' ' ' LEU . 2.6 pt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG11 ' OD2' ' A' ' 54' ' ' ASP . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.677 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.008 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.008 ' N ' HD22 ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.916 HG21 ' HE1' ' A' ' 83' ' ' MET . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.666 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 59' ' ' ALA . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.674 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD12 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' OD2' HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.43 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.046 HG13 HD12 ' A' ' 92' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 72' ' ' VAL . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 74' ' ' LEU . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.916 ' HE1' HG21 ' A' ' 27' ' ' ILE . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.703 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.924 ' C ' HD13 ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.046 HD12 HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 13' ' ' ILE . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 91' ' ' THR . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.593 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.747 ' N ' HD23 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 6.8 ptmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.0 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' O ' ' A' ' 74' ' ' LEU . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 59' ' ' ALA . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.749 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.749 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.673 ' CG2' HD13 ' A' ' 71' ' ' LEU . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.699 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.699 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 94' ' ' VAL . 29.4 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' SER . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.807 ' CB ' ' HB2' ' A' ' 50' ' ' ALA . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 43.2 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.797 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.83 ' CD2' HG13 ' A' ' 45' ' ' VAL . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.795 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 75' ' ' SER . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 61' ' ' ASP . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' CB ' ' A' ' 19' ' ' LYS . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.676 HG11 ' HD2' ' A' ' 19' ' ' LYS . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.648 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.726 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 92' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 74' ' ' LEU . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.703 ' HB ' HD13 ' A' ' 64' ' ' LEU . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 71' ' ' LEU . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.593 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' THR . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HB2' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 92' ' ' LEU . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.656 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.748 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 26' ' ' SER . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.722 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE ' ' A' ' 83' ' ' MET . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.853 HG23 ' HE2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.7 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.516 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.797 HD13 ' HB3' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.61 HG11 HD21 ' A' ' 25' ' ' LEU . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.853 ' HE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.947 HD22 ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.947 ' HG ' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.565 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.584 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.811 ' CG1' HD11 ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.651 HD12 HG21 ' A' ' 94' ' ' VAL . 19.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' THR . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.572 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.84 ' N ' HD23 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' HG3' ' A' ' 76' ' ' GLN . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.759 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 39' ' ' GLY . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.839 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.976 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 25' ' ' LEU . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.036 HD13 HD12 ' A' ' 25' ' ' LEU . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.729 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.764 ' OD2' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.001 HD12 HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.532 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.532 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.001 HD22 HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.976 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.641 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.764 HG11 ' OD2' ' A' ' 61' ' ' ASP . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' H ' HG12 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 92' ' ' LEU . 18.8 pt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' H ' HD13 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.614 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.794 ' N ' HD23 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.688 HD11 ' HG2' ' A' ' 76' ' ' GLN . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.719 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 HD21 ' A' ' 25' ' ' LEU . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 72' ' ' VAL . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.688 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.815 ' HB3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HD13 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.731 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.5 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.824 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.709 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.093 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.093 ' N ' HD12 ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.733 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' HB1' ' A' ' 29' ' ' ALA . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 HD23 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.709 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 45' ' ' VAL . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.961 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.843 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 92' ' ' LEU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 64' ' ' LEU . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.702 ' CG2' HD13 ' A' ' 71' ' ' LEU . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.801 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 85' ' ' ARG . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.682 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.843 HG11 ' CG ' ' A' ' 61' ' ' ASP . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.531 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 53' ' ' VAL . 10.1 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.71 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.71 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.658 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.742 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.763 HD11 ' HG2' ' A' ' 76' ' ' GLN . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.441 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.655 HG12 ' HA ' ' A' ' 59' ' ' ALA . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.655 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.667 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.623 ' CG2' HD13 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.639 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.639 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.653 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.667 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' HG22 ' A' ' 94' ' ' VAL . 23.9 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.504 ' HB2' HG21 ' A' ' 53' ' ' VAL . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.68 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.09 HD12 HD13 ' A' ' 57' ' ' LEU . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.814 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 76' ' ' GLN . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.7 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.939 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.9 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 71' ' ' LEU . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.68 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.09 HD13 HD12 ' A' ' 25' ' ' LEU . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.736 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.764 ' CG2' HD13 ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 74' ' ' LEU . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.803 ' HB ' HD13 ' A' ' 64' ' ' LEU . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.502 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.785 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.756 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.507 ' CE ' HG21 ' A' ' 27' ' ' ILE . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.634 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.823 ' CD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.635 ' H ' HD13 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.623 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.831 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.079 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.079 ' N ' HD22 ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 25' ' ' LEU . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.92 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.718 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' CG ' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.859 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD11 ' OE1' ' A' ' 62' ' ' GLN . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.83 ' CG1' HD22 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 74' ' ' LEU . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 71' ' ' LEU . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.654 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.734 ' C ' HD12 ' A' ' 92' ' ' LEU . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 91' ' ' THR . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 13' ' ' ILE . 14.3 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.72 HG11 ' OD2' ' A' ' 54' ' ' ASP . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.754 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.613 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.754 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.047 ' N ' HD22 ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 25' ' ' LEU . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.772 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 30' ' ' ALA . 2.2 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.726 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.726 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.72 ' OD2' HG11 ' A' ' 15' ' ' VAL . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.888 ' CG1' HD13 ' A' ' 71' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG2' HD11 ' A' ' 82' ' ' LEU . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 74' ' ' LEU . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.803 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 41.9 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.689 ' HE1' HG21 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.612 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.612 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 94.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.645 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.64 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.054 HD12 ' CD2' ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.81 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.786 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA2' ' A' ' 73' ' ' GLY . 1.5 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.719 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.762 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.946 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.517 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.054 ' CD2' HD12 ' A' ' 25' ' ' LEU . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 31.9 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.728 ' HB ' HD13 ' A' ' 71' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.9 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 71' ' ' LEU . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.42 ' CB ' ' HE1' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.577 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 92' ' ' LEU . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.786 HG23 ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.786 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.985 HD13 HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' HG11 ' A' ' 53' ' ' VAL . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.893 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.722 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.982 ' N ' HD22 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.733 ' CG2' HD11 ' A' ' 25' ' ' LEU . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 13.5 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 71' ' ' LEU . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.752 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.548 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.985 HD21 HD13 ' A' ' 13' ' ' ILE . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.591 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.811 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.469 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 71' ' ' LEU . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.499 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.047 HG22 ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.047 ' CD1' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 13' ' ' ILE . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 94' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.585 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.863 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.666 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.743 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 45' ' ' VAL . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.501 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 30' ' ' ALA . 4.2 mp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 71' ' ' LEU . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.474 ' O ' HD22 ' A' ' 25' ' ' LEU . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.638 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.863 HG21 ' HG3' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.557 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.488 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 94' ' ' VAL . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 ' CG1' HD13 ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 27' ' ' ILE . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.843 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.843 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.827 HD11 ' NH1' ' A' ' 56' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.761 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.015 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.015 ' N ' HD22 ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 76' ' ' GLN . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 39' ' ' GLY . 7.4 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.711 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LEU . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 25' ' ' LEU . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 57' ' ' LEU . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.827 ' NH1' HD11 ' A' ' 13' ' ' ILE . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' OD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.472 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.724 ' CG2' HD22 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.755 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 71' ' ' LEU . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.845 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 78' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.538 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.651 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.596 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.654 HG21 ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.947 ' CD1' HG21 ' A' ' 94' ' ' VAL . 78.1 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' THR . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.736 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.714 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.037 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.037 ' N ' HD22 ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.882 HG21 ' HE1' ' A' ' 83' ' ' MET . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.714 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HG3' HG23 ' A' ' 45' ' ' VAL . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.77 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.77 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.749 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.689 ' CG2' HD22 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG2' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 74' ' ' LEU . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 71' ' ' LEU . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.882 ' HE1' HG21 ' A' ' 27' ' ' ILE . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.947 HG21 ' CD1' ' A' ' 13' ' ' ILE . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.74 HG22 ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.855 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.858 HD23 HG13 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' N ' HD13 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CG2' HD12 ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 25' ' ' LEU . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 25' ' ' LEU . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.858 HG13 HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.664 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD12 ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.572 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.867 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.772 HG23 ' HB3' ' A' ' 92' ' ' LEU . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.819 ' HD3' HD11 ' A' ' 82' ' ' LEU . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 74' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.555 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 92' ' ' LEU . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.74 ' OG1' HG22 ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.772 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' SER . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.591 ' H ' HD13 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.732 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 1.027 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.982 HD12 HD11 ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.751 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.725 HD11 ' HG3' ' A' ' 76' ' ' GLN . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.769 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.939 HD13 ' HB3' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.716 HG22 HD21 ' A' ' 25' ' ' LEU . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.676 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' H ' ' CG ' ' A' ' 52' ' ' ASP . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.982 HD11 HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' A' ' 92' ' ' LEU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.779 ' CG2' HD13 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.779 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' O ' HD11 ' A' ' 40' ' ' ILE . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.725 ' HG3' HD11 ' A' ' 27' ' ' ILE . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.526 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.755 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.625 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 16' ' ' THR . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.755 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.68 20.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -87.57 159.67 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.18 135.8 2.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB3' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -148.7 -66.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 5' ' ' SER . 3.7 mp -126.83 174.44 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -58.39 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 53.59 174.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.86 -53.96 1.72 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -75.01 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 82.29 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' OE1' ' A' ' 93' ' ' GLU . 6.0 tt -107.31 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.525 ' CG1' HG22 ' A' ' 94' ' ' VAL . 24.3 mm -108.43 128.37 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.647 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.772 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.717 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.974 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.974 ' N ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CG2' HD11 ' A' ' 25' ' ' LEU . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.717 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.53 108.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.01 161.97 9.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.0 40.68 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.741 . . . . 0.0 109.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.61 -104.95 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.1 16.63 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.782 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 60.06 39.84 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 pttp 178.77 91.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -90.17 141.65 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.695 HG21 HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG13 ' CD2' ' A' ' 25' ' ' LEU . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.717 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.649 ' CG2' HD13 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 71' ' ' LEU . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.665 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.611 ' OE1' HD12 ' A' ' 12' ' ' ILE . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.2 159.77 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -113.45 -177.94 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -105.31 -28.76 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.34 113.54 0.56 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . -172.13 -179.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.774 ' O ' HG23 ' A' ' 100' ' ' ILE . 6.1 tp 31.33 69.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.39 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.62 62.82 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.37 75.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 125.62 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.64 62.96 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -169.3 127.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.39 107.2 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 162.62 55.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.03 178.36 7.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 2.8 tt0 79.0 -73.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . 1.2 tt -98.89 99.9 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 12' ' ' ILE . 1.7 mp -107.04 128.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.603 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 2.2 m-80 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.635 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.055 ' N ' HD12 ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.665 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER 177.5 108.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.86 159.65 9.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.17 43.73 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.58 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -113.77 0.02 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.35 34.95 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.53 81.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -90.19 131.51 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.75 HG22 HD11 ' A' ' 25' ' ' LEU . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 45' ' ' VAL . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.75 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.913 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.752 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.448 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.865 HG11 HD22 ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HG2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.506 ' O ' HD11 ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 74' ' ' LEU . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.66 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 13' ' ' ILE . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.23 177.23 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.13 -63.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.81 109.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.78 90.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 57.44 105.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mm -128.47 150.32 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.3 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.6 104.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 68.38 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -65.59 137.14 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tp 61.62 64.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 96.04 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttm 49.02 46.97 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 64.97 89.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.8 tp10 -141.36 92.95 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 16.7 pt -74.78 170.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.002 HD12 HD23 ' A' ' 92' ' ' LEU . 2.6 pt -154.93 129.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG11 ' OD2' ' A' ' 54' ' ' ASP . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.677 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.008 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.008 ' N ' HD22 ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.916 HG21 ' HE1' ' A' ' 83' ' ' MET . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 26.6 tttt -81.95 108.18 15.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.34 132.64 1.38 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.65 44.6 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.22 -126.99 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 24.02 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 14.5 m-20 59.06 36.58 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 166.06 92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt -88.57 140.48 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.666 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 59' ' ' ALA . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.674 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD12 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' OD2' HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.046 HG13 HD12 ' A' ' 92' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 72' ' ' VAL . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 74' ' ' LEU . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.916 ' HE1' HG21 ' A' ' 27' ' ' ILE . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.703 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.924 ' C ' HD13 ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.046 HD12 HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 11' ' ' GLU . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -175.53 167.92 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.32 79.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 172.99 90.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.5 140.38 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.91 156.83 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 tp -173.03 130.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.08 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.21 173.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -148.12 6.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 p -63.17 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER 79.58 87.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 177.58 -63.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.89 111.03 21.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.98 171.26 7.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.03 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 154.83 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.237 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.691 HG22 ' HG2' ' A' ' 93' ' ' GLU . 12.0 pt -101.0 169.77 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 92' ' ' LEU . 2.8 tp -167.6 128.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 91' ' ' THR . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.747 ' N ' HD23 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 6.8 ptmm? -90.03 108.19 19.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.3 163.59 11.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.65 36.97 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.11 -71.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -156.75 28.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.6 39.51 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 177.74 128.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.0 tt -139.8 142.21 36.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' O ' ' A' ' 74' ' ' LEU . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 59' ' ' ALA . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.749 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.749 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.673 ' CG2' HD13 ' A' ' 71' ' ' LEU . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.699 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.699 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.691 ' HG2' HG22 ' A' ' 12' ' ' ILE . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.81 151.24 38.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.684 ' HE3' ' HB2' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -171.32 -66.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -176.55 137.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 47.0 -104.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.684 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . . . 70.25 161.49 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -176.36 141.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.78 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.63 -66.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 171.51 12.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.45 ' C ' HD22 ' A' ' 6' ' ' LEU . 81.3 p -166.69 173.4 9.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD22 ' C ' ' A' ' 5' ' ' SER . 4.3 mm? -123.29 -64.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.04 122.81 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -169.89 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.81 -56.3 12.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.3 Cg_endo -75.06 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 81.06 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 tt -112.65 110.04 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 94' ' ' VAL . 29.4 mm -111.92 126.34 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' SER . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.807 ' CB ' ' HB2' ' A' ' 50' ' ' ALA . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 43.2 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.797 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.83 ' CD2' HG13 ' A' ' 45' ' ' VAL . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.795 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 75' ' ' SER . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 10.9 tttt -172.56 108.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.48 169.44 11.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.07 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.68 -110.94 0.43 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.82 19.2 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 m-20 59.17 34.94 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 175.65 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.3 tt -140.51 146.41 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 61' ' ' ASP . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' CB ' ' A' ' 19' ' ' LYS . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.676 HG11 ' HD2' ' A' ' 19' ' ' LYS . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.648 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.726 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 92' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 74' ' ' LEU . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.703 ' HB ' HD13 ' A' ' 64' ' ' LEU . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 71' ' ' LEU . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.593 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' THR . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HB2' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 92' ' ' LEU . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.78 153.55 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER 72.87 66.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 98' ' ' GLY . 0.5 OUTLIER -154.23 82.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -76.78 157.38 47.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.79 -67.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.9 -68.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.58 99.29 10.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.62 -85.52 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 13.2 t 59.21 159.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -163.35 137.28 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -143.3 177.44 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.71 138.82 40.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 3.2 mm-40 166.67 -55.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.01 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER 157.88 -91.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.747 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.71 169.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt -157.82 128.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.656 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.748 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 26' ' ' SER . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.722 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE ' ' A' ' 83' ' ' MET . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.853 HG23 ' HE2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -89.7 108.25 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.97 170.11 14.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.21 36.52 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.41 -64.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -159.25 25.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.35 38.8 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 5.3 ttpt 178.93 127.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.7 tt -140.31 146.23 38.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.516 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.797 HD13 ' HB3' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.61 HG11 HD21 ' A' ' 25' ' ' LEU . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.853 ' HE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.947 HD22 ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.947 ' HG ' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.565 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.584 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.811 ' CG1' HD11 ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.6 165.66 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.07 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.72 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -138.59 153.81 22.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 178.38 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 pt -54.34 170.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.56 -66.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.98 96.94 2.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -172.31 139.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -156.05 -68.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 120.52 21.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 176.92 167.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 159.52 0.67 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.78 17.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' A' ' 13' ' ' ILE . 9.4 tt0 -128.09 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 93' ' ' GLU . 1.3 pp -74.69 110.33 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.651 HD12 HG21 ' A' ' 94' ' ' VAL . 19.2 mt -98.57 129.47 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' THR . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.572 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.84 ' N ' HD23 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' HG3' ' A' ' 76' ' ' GLN . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.759 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -86.48 108.39 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.64 176.39 18.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.2 35.2 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.69 -79.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -142.29 28.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER 54.37 39.62 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER 178.26 132.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 39' ' ' GLY . 8.3 tt -139.86 153.21 46.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.839 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.976 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 25' ' ' LEU . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.036 HD13 HD12 ' A' ' 25' ' ' LEU . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.729 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.764 ' OD2' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.001 HD12 HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.532 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.532 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.001 HD22 HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.976 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.641 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 12' ' ' ILE . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG11 ' OD2' ' A' ' 61' ' ' ASP . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' H ' HG12 ' A' ' 94' ' ' VAL . . . -157.54 152.0 25.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -68.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -140.14 -175.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -99.06 136.62 12.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 176.2 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 tt -167.7 167.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.74 6.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.23 124.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.11 -177.22 20.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 p -154.28 151.44 29.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.58 175.41 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.58 100.14 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 2.2 mm-40 172.83 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.0 168.28 25.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 1.2 tp10 80.74 -58.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -123.73 101.31 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 92' ' ' LEU . 18.8 pt -103.46 132.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' H ' HD13 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.614 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.794 ' N ' HD23 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.688 HD11 ' HG2' ' A' ' 76' ' ' GLN . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.719 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 108.14 19.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.63 141.53 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.45 35.35 22.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.29 -97.23 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -133.78 28.45 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 31.7 m-20 53.39 39.72 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.1 ttpt 164.89 96.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -89.79 156.06 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 HD21 ' A' ' 25' ' ' LEU . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.688 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.815 ' HB3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.09 159.96 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -153.89 -65.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -167.39 147.82 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.51 -172.08 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.77 177.88 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 101' ' ' TYR . 34.2 mm -128.33 152.43 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 Cg_endo -75.04 -37.14 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.3 mt 63.63 -79.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 87.34 124.84 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.84 169.07 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.0 156.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -82.38 77.33 9.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -177.91 173.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER 74.03 167.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.02 -178.84 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 4.1 tt0 83.44 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -99.5 111.12 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm -114.4 128.76 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HD13 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.731 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.5 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.824 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.709 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.093 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.093 ' N ' HD12 ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.733 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -165.9 108.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -174.19 16.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.95 35.68 19.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.64 -106.09 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.4 pt20 -97.8 23.33 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 4.7 m-20 60.14 40.11 18.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 163.66 142.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt -139.97 125.32 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' HB1' ' A' ' 29' ' ' ALA . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 HD23 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.709 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 45' ' ' VAL . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.961 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.843 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 92' ' ' LEU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 64' ' ' LEU . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.702 ' CG2' HD13 ' A' ' 71' ' ' LEU . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.801 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 85' ' ' ARG . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.682 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.843 HG11 ' CG ' ' A' ' 61' ' ' ASP . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.38 157.04 37.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 179.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.6 105.62 17.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.88 -170.51 26.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 100' ' ' ILE . . . -177.21 135.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 101' ' ' TYR . 0.8 OUTLIER 73.84 167.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.435 ' N ' HG23 ' A' ' 100' ' ' ILE . 92.0 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 57.51 4.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.2 mt -147.56 174.17 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.95 -157.4 14.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -83.96 -58.31 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.65 101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 101.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 179.0 124.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.19 -53.34 23.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.07 112.06 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.0 mm-40 160.42 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 tt -101.32 169.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.531 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp -172.43 128.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 53' ' ' VAL . 10.1 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.71 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.71 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.658 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.742 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.763 HD11 ' HG2' ' A' ' 76' ' ' GLN . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -169.94 108.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.54 161.83 9.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.55 36.75 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.75 -100.14 0.14 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.14 19.6 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 37.08 21.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 92.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.441 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt -88.94 150.24 22.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.655 HG12 ' HA ' ' A' ' 59' ' ' ALA . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.655 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.667 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.623 ' CG2' HD13 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.639 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.639 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.653 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.667 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.05 159.61 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.8 -69.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.57 130.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.39 -61.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.51 137.53 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 pt -144.02 174.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.12 4.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -135.81 -68.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.51 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -67.68 178.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.79 172.5 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.14 -173.51 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.43 102.82 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -79.83 -48.37 1.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.99 -62.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 6.0 tp10 69.32 -76.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.95 110.3 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' HG22 ' A' ' 94' ' ' VAL . 23.9 mm -118.86 127.03 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.504 ' HB2' HG21 ' A' ' 53' ' ' VAL . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.68 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.09 HD12 HD13 ' A' ' 57' ' ' LEU . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.814 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 76' ' ' GLN . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.7 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt -88.85 108.21 19.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.83 129.21 1.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.11 41.67 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.32 -134.45 2.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.38 17.97 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 59.39 37.35 23.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.83 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.939 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.9 tt -89.56 154.92 19.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 71' ' ' LEU . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.68 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.09 HD13 HD12 ' A' ' 25' ' ' LEU . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.736 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.764 ' CG2' HD13 ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 74' ' ' LEU . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.803 ' HB ' HD13 ' A' ' 64' ' ' LEU . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.502 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.785 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.756 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.507 ' CE ' HG21 ' A' ' 27' ' ' ILE . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.634 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.823 ' CD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.97 148.35 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.4 tttt -177.1 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 7.3 tm0? 81.71 130.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 -55.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.71 149.18 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.31 -36.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 175.9 10.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -179.72 139.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' H ' HD13 ' A' ' 3' ' ' LEU . . . -173.77 174.24 46.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.31 154.69 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.41 150.55 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.67 168.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -146.52 100.18 3.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 158.59 60.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.34 38.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 95' ' ' ALA . 26.4 tp10 -146.73 78.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.63 110.21 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp -97.05 129.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.635 ' H ' HD13 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.623 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.831 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.079 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.079 ' N ' HD22 ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 25' ' ' LEU . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.92 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt -89.47 108.17 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.91 145.52 4.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.51 41.02 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.74 -109.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.6 tt0 -111.19 11.19 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.5 m-20 60.21 36.97 20.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 14.8 ptpt -179.94 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -89.16 170.12 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.718 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' CG ' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.859 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD11 ' OE1' ' A' ' 62' ' ' GLN . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.83 ' CG1' HD22 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 74' ' ' LEU . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 71' ' ' LEU . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.654 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.734 ' C ' HD12 ' A' ' 92' ' ' LEU . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 91' ' ' THR . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -165.17 176.47 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.4 57.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.18 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 95.82 -179.25 35.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -179.66 118.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt -105.08 -176.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.02 176.0 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.21 -149.89 7.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -177.56 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 179.99 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -46.6 125.52 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -169.27 115.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 61.53 111.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.3 tp10 -138.6 100.19 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 1.3 pp -74.77 169.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 13' ' ' ILE . 14.3 mm -152.83 134.39 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.72 HG11 ' OD2' ' A' ' 54' ' ' ASP . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.754 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.613 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.754 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.047 ' N ' HD22 ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 25' ' ' LEU . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.772 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -82.43 107.91 15.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.9 156.55 8.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.99 36.93 23.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.38 -120.91 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.74 12.46 29.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.81 38.37 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.81 82.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 30' ' ' ALA . 2.2 mp -81.45 153.01 27.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.726 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.726 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.72 ' OD2' HG11 ' A' ' 15' ' ' VAL . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.888 ' CG1' HD13 ' A' ' 71' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG2' HD11 ' A' ' 82' ' ' LEU . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 74' ' ' LEU . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.803 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 41.9 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.689 ' HE1' HG21 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.612 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 11' ' ' GLU . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -165.4 152.63 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -172.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -53.84 -35.8 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.39 8.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.2 79.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.6 mt -95.04 116.36 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 19.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -163.8 151.86 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 163.91 18.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.39 -48.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.45 160.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -151.24 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.02 -71.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -39.12 99.82 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.25 42.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' O ' ' O ' ' A' ' 94' ' ' VAL . 2.2 tt0 -147.96 97.49 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' C ' HG13 ' A' ' 13' ' ' ILE . 6.2 pt -74.84 168.5 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 HG13 ' C ' ' A' ' 12' ' ' ILE . 94.3 mt -149.4 129.24 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.645 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.64 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.054 HD12 ' CD2' ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.81 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.786 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt -150.37 108.6 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.37 -117.29 0.76 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.5 34.88 25.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.34 64.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -119.74 -5.98 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 1.6 m-20 60.0 34.93 21.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 175.77 156.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA2' ' A' ' 73' ' ' GLY . 1.5 tt -152.83 135.3 15.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.719 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.762 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.946 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.517 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.054 ' CD2' HD12 ' A' ' 25' ' ' LEU . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 96' ' ' LYS . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 3.8 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.728 ' HB ' HD13 ' A' ' 71' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.9 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 71' ' ' LEU . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.42 ' CB ' ' HE1' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.577 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 92' ' ' LEU . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.786 HG23 ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.786 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -161.64 154.56 20.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' GLY . 4.3 ttpm? -159.63 142.78 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -90.8 75.24 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.4 -148.03 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.32 177.4 10.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt 59.04 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.97 39.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.67 107.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 165.29 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.511 ' C ' HD12 ' A' ' 6' ' ' LEU . 12.4 m -88.72 167.8 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 97' ' ' GLN . 5.4 mp -146.61 142.3 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -123.73 156.79 35.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 83.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.17 157.61 76.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.7 tt0 83.66 -68.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 12' ' ' ILE . 11.9 tt -117.08 109.04 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.985 HD13 HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.9 128.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' HG11 ' A' ' 53' ' ' VAL . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.6 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.893 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.722 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.982 ' N ' HD22 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.733 ' CG2' HD11 ' A' ' 25' ' ' LEU . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 13.5 ptmt -89.29 108.14 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.37 165.79 15.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.6 37.66 28.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.66 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -135.46 26.58 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 20.0 m-20 58.59 40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 1.4 ptmm? -179.77 131.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt -139.74 145.08 37.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 71' ' ' LEU . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.752 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.548 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.985 HD21 HD13 ' A' ' 13' ' ' ILE . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.591 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.811 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.469 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 71' ' ' LEU . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.499 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.047 HG22 ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.047 ' CD1' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 13' ' ' ILE . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.02 116.32 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -143.07 138.24 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HB2' HD23 ' A' ' 6' ' ' LEU . 2.8 tm0? -74.2 96.82 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -176.34 -89.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 67.01 -177.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.253 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 pt -149.54 178.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.64 35.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -172.67 164.46 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 -165.76 13.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -121.97 -46.37 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.64 123.43 23.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.37 140.34 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -136.26 147.67 61.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.4 Cg_endo -75.01 -62.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 87.79 -72.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.8 tt -102.4 105.95 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 94' ' ' VAL . 8.8 mt -111.19 129.27 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.863 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.666 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.743 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 45' ' ' VAL . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.501 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -85.05 108.2 17.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.56 161.95 11.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.0 37.75 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.59 -82.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -149.49 29.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.45 39.89 21.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 38' ' ' LEU . 14.9 pttp -179.84 142.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 30' ' ' ALA . 4.2 mp -139.48 151.84 46.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 71' ' ' LEU . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.474 ' O ' HD22 ' A' ' 25' ' ' LEU . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.638 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.863 HG21 ' HG3' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.488 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 94' ' ' VAL . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.672 ' CG1' HD13 ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 27' ' ' ILE . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.843 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.843 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.78 172.86 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 -168.3 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -124.64 88.17 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.14 -111.38 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.09 179.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.724 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.77 -37.38 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp 63.88 94.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -95.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' ARG . 81.6 p -134.32 96.25 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER 66.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -117.27 62.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -45.15 157.78 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.03 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER 76.99 -71.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.7 tt -107.08 104.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.827 HD11 ' NH1' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -113.24 130.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.761 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.015 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.015 ' N ' HD22 ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 76' ' ' GLN . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -90.13 108.33 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.34 171.49 15.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.9 34.87 20.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -78.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 6.1 tm0? -142.88 23.9 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 57.08 39.87 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 6.9 mttt 175.67 130.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 39' ' ' GLY . 7.4 tt -139.89 148.02 41.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.711 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LEU . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 25' ' ' LEU . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 57' ' ' LEU . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.827 ' NH1' HD11 ' A' ' 13' ' ' ILE . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' OD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.472 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.724 ' CG2' HD22 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.755 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 71' ' ' LEU . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.845 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 78' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.538 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.651 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.596 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.654 HG21 ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.32 159.9 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -114.6 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.11 82.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.26 76.16 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.33 177.81 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.49 144.97 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.98 97.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.43 -138.65 5.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -73.45 157.13 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -52.13 -64.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 176.36 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.53 55.78 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 66.41 100.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 94' ' ' VAL . 20.9 tt0 -147.26 151.31 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -132.11 109.79 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.947 ' CD1' HG21 ' A' ' 94' ' ' VAL . 78.1 mt -106.44 129.69 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' THR . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.736 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.714 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.037 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.037 ' N ' HD22 ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.882 HG21 ' HE1' ' A' ' 83' ' ' MET . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -179.73 108.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.05 175.99 14.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.93 36.9 23.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 35' ' ' GLN . . . -173.66 -86.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -129.03 10.48 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.82 21.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.49 102.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -81.75 169.22 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.714 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HG3' HG23 ' A' ' 45' ' ' VAL . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.77 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.77 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.749 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.689 ' CG2' HD22 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG2' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 74' ' ' LEU . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 71' ' ' LEU . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.882 ' HE1' HG21 ' A' ' 27' ' ' ILE . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.947 HG21 ' CD1' ' A' ' 13' ' ' ILE . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 94' ' ' VAL . . . -167.32 158.96 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -179.0 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -176.95 77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.29 -167.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.408 ' C ' HG22 ' A' ' 100' ' ' ILE . . . -172.05 69.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG22 ' C ' ' A' ' 99' ' ' ALA . 2.7 tp 43.22 62.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.43 166.28 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.26 171.47 21.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.587 1.179 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 159.58 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.5 mm? -76.32 176.8 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -139.39 85.06 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 5.1 tmtt? -174.84 67.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 167.78 -56.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.97 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -118.19 87.76 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.807 HG21 ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -77.88 168.7 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt -153.04 129.57 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.74 HG22 ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.855 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.858 HD23 HG13 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' N ' HD13 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CG2' HD12 ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.6 108.56 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 38' ' ' LEU . . . 165.37 -111.03 0.44 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.82 34.8 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.94 13.95 28.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -123.02 -3.39 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.06 34.9 18.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.92 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -90.29 158.8 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 25' ' ' LEU . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 25' ' ' LEU . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.858 HG13 HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.664 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD12 ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.867 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.772 HG23 ' HB3' ' A' ' 92' ' ' LEU . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.819 ' HD3' HD11 ' A' ' 82' ' ' LEU . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 74' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.555 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 92' ' ' LEU . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.74 ' OG1' HG22 ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.772 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 11' ' ' GLU . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -169.19 168.9 9.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -165.44 168.6 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -93.75 91.03 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 171.28 -103.51 0.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 73.27 147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.38 142.47 28.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.05 3.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.35 96.97 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 -156.12 21.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 60.21 105.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.51 154.85 42.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -56.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -42.92 142.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.52 110.46 2.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' HB2' HD11 ' A' ' 13' ' ' ILE . 18.3 Cg_endo -75.0 -61.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 6.5 tt0 89.99 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.926 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.87 110.43 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.0 mp -123.76 129.96 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' SER . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.591 ' H ' HD13 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.732 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 1.027 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD12 HD11 ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.751 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.725 HD11 ' HG3' ' A' ' 76' ' ' GLN . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.769 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER -173.5 108.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.35 175.34 15.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.97 34.89 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.68 -80.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -138.28 25.39 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 70.8 m-20 54.13 40.08 31.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER 177.12 136.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt -139.89 143.78 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.939 HD13 ' HB3' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.716 HG22 HD21 ' A' ' 25' ' ' LEU . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.676 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' H ' ' CG ' ' A' ' 52' ' ' ASP . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.982 HD11 HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' LYS . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' A' ' 92' ' ' LEU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.779 ' CG2' HD13 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.779 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' O ' HD11 ' A' ' 40' ' ' ILE . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.725 ' HG3' HD11 ' A' ' 27' ' ' ILE . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.526 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.755 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.625 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 16' ' ' THR . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.755 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . . . -138.87 156.5 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER 73.93 158.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 173.77 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.81 91.83 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.79 -174.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 100' ' ' ILE . 4.9 mp -116.28 148.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.525 ' CG1' HG22 ' A' ' 94' ' ' VAL . 24.3 mm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.647 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.772 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.717 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.974 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.974 ' N ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CG2' HD11 ' A' ' 25' ' ' LEU . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.717 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.695 HG21 HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG13 ' CD2' ' A' ' 25' ' ' LEU . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.717 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.649 ' CG2' HD13 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 71' ' ' LEU . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.665 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 94' ' ' VAL . 1.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.603 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.635 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.055 ' N ' HD12 ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.665 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.75 HG22 HD11 ' A' ' 25' ' ' LEU . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 45' ' ' VAL . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.75 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.913 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.752 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.448 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.865 HG11 HD22 ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HG2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.506 ' O ' HD11 ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 74' ' ' LEU . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.66 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 13' ' ' ILE . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.002 HD12 HD23 ' A' ' 92' ' ' LEU . 2.6 pt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG11 ' OD2' ' A' ' 54' ' ' ASP . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.677 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.008 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.008 ' N ' HD22 ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.916 HG21 ' HE1' ' A' ' 83' ' ' MET . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.666 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 59' ' ' ALA . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.674 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD12 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' OD2' HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.43 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.046 HG13 HD12 ' A' ' 92' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 72' ' ' VAL . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 74' ' ' LEU . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.916 ' HE1' HG21 ' A' ' 27' ' ' ILE . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.703 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.924 ' C ' HD13 ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.046 HD12 HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG13 HG12 ' A' ' 13' ' ' ILE . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 91' ' ' THR . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.593 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.747 ' N ' HD23 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 6.8 ptmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.0 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' O ' ' A' ' 74' ' ' LEU . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 59' ' ' ALA . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.749 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.749 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.673 ' CG2' HD13 ' A' ' 71' ' ' LEU . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.699 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.699 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 94' ' ' VAL . 29.4 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' SER . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.807 ' CB ' ' HB2' ' A' ' 50' ' ' ALA . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 21.5 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.797 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.83 ' CD2' HG13 ' A' ' 45' ' ' VAL . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.795 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 75' ' ' SER . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.3 tt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 61' ' ' ASP . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' CB ' ' A' ' 19' ' ' LYS . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.676 HG11 ' HD2' ' A' ' 19' ' ' LYS . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.648 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.726 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 92' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 74' ' ' LEU . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.703 ' HB ' HD13 ' A' ' 64' ' ' LEU . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 71' ' ' LEU . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.593 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' THR . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HB2' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 92' ' ' LEU . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.656 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.748 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 26' ' ' SER . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.722 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE ' ' A' ' 83' ' ' MET . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.853 HG23 ' HE2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.7 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.516 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.797 HD13 ' HB3' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.61 HG11 HD21 ' A' ' 25' ' ' LEU . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.853 ' HE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 2.5 tt0 -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.947 HD22 ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.947 ' HG ' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.565 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.584 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.811 ' CG1' HD11 ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.651 HD12 HG21 ' A' ' 94' ' ' VAL . 19.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' THR . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.572 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.84 ' N ' HD23 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' HG3' ' A' ' 76' ' ' GLN . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.759 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 39' ' ' GLY . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.839 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.976 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 25' ' ' LEU . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.036 HD13 HD12 ' A' ' 25' ' ' LEU . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.729 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.764 ' OD2' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.001 HD12 HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.532 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.532 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.001 HD22 HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.976 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.641 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.764 HG11 ' OD2' ' A' ' 61' ' ' ASP . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' H ' HG12 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 92' ' ' LEU . 18.8 pt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' H ' HD13 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.614 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.794 ' N ' HD23 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.688 HD11 ' HG2' ' A' ' 76' ' ' GLN . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.719 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 HD21 ' A' ' 25' ' ' LEU . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 72' ' ' VAL . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.688 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.815 ' HB3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HD13 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.731 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.824 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.709 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.093 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.093 ' N ' HD12 ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.733 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' HB1' ' A' ' 29' ' ' ALA . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 HD23 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.709 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 45' ' ' VAL . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.961 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.843 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 92' ' ' LEU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 64' ' ' LEU . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.702 ' CG2' HD13 ' A' ' 71' ' ' LEU . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.801 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 85' ' ' ARG . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.682 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.843 HG11 ' CG ' ' A' ' 61' ' ' ASP . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.531 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 53' ' ' VAL . 3.8 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.71 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.71 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.658 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.742 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.763 HD11 ' HG2' ' A' ' 76' ' ' GLN . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.441 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.655 HG12 ' HA ' ' A' ' 59' ' ' ALA . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.655 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.667 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.623 ' CG2' HD13 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.639 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.639 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.653 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.667 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' HG22 ' A' ' 94' ' ' VAL . 23.9 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.504 ' HB2' HG21 ' A' ' 53' ' ' VAL . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.68 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.09 HD12 HD13 ' A' ' 57' ' ' LEU . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.814 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 76' ' ' GLN . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.7 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.939 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.9 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 71' ' ' LEU . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.68 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.09 HD13 HD12 ' A' ' 25' ' ' LEU . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.736 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.764 ' CG2' HD13 ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 74' ' ' LEU . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.803 ' HB ' HD13 ' A' ' 64' ' ' LEU . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.502 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.785 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.756 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.507 ' CE ' HG21 ' A' ' 27' ' ' ILE . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.634 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.823 ' CD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.635 ' H ' HD13 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.623 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.831 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.079 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.079 ' N ' HD22 ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 25' ' ' LEU . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.92 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.718 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' CG ' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.859 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD11 ' OE1' ' A' ' 62' ' ' GLN . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.83 ' CG1' HD22 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 74' ' ' LEU . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 71' ' ' LEU . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.654 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.734 ' C ' HD12 ' A' ' 92' ' ' LEU . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 91' ' ' THR . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 13' ' ' ILE . 14.3 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.72 HG11 ' OD2' ' A' ' 54' ' ' ASP . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.754 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.613 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.754 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.047 ' N ' HD22 ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 25' ' ' LEU . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.772 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 30' ' ' ALA . 2.2 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.726 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.726 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.72 ' OD2' HG11 ' A' ' 15' ' ' VAL . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.888 ' CG1' HD13 ' A' ' 71' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG2' HD11 ' A' ' 82' ' ' LEU . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 74' ' ' LEU . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.803 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.7 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.689 ' HE1' HG21 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.612 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.612 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 94.3 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.645 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.64 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.054 HD12 ' CD2' ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.81 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.786 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA2' ' A' ' 73' ' ' GLY . 1.5 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.719 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.762 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.946 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.517 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.054 ' CD2' HD12 ' A' ' 25' ' ' LEU . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 31.9 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.728 ' HB ' HD13 ' A' ' 71' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.9 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 71' ' ' LEU . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.42 ' CB ' ' HE1' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.577 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 92' ' ' LEU . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.786 HG23 ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.786 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.985 HD13 HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' HG11 ' A' ' 53' ' ' VAL . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.893 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.722 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.982 ' N ' HD22 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.733 ' CG2' HD11 ' A' ' 25' ' ' LEU . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 13.5 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 71' ' ' LEU . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.752 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.548 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.985 HD21 HD13 ' A' ' 13' ' ' ILE . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.591 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.811 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.469 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 71' ' ' LEU . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.499 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.047 HG22 ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.047 ' CD1' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 13' ' ' ILE . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 94' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.585 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.863 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.666 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.743 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 45' ' ' VAL . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.501 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 30' ' ' ALA . 4.2 mp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 71' ' ' LEU . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.474 ' O ' HD22 ' A' ' 25' ' ' LEU . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.638 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.863 HG21 ' HG3' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.557 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.488 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 94' ' ' VAL . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 ' CG1' HD13 ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 27' ' ' ILE . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.843 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.843 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.827 HD11 ' NH1' ' A' ' 56' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.761 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.015 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.015 ' N ' HD22 ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 76' ' ' GLN . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 39' ' ' GLY . 7.4 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.711 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LEU . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 25' ' ' LEU . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 57' ' ' LEU . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.827 ' NH1' HD11 ' A' ' 13' ' ' ILE . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' OD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.472 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.724 ' CG2' HD22 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.755 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 71' ' ' LEU . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.845 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 78' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.538 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.651 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.596 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.654 HG21 ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.947 ' CD1' HG21 ' A' ' 94' ' ' VAL . 78.1 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' THR . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.736 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.714 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.037 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.037 ' N ' HD22 ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.882 HG21 ' HE1' ' A' ' 83' ' ' MET . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.714 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HG3' HG23 ' A' ' 45' ' ' VAL . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.77 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.77 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.749 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.689 ' CG2' HD22 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG2' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 74' ' ' LEU . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 71' ' ' LEU . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.882 ' HE1' HG21 ' A' ' 27' ' ' ILE . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.947 HG21 ' CD1' ' A' ' 13' ' ' ILE . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.74 HG22 ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.855 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.858 HD23 HG13 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' N ' HD13 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CG2' HD12 ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 25' ' ' LEU . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 25' ' ' LEU . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.858 HG13 HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.664 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD12 ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.572 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.867 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.772 HG23 ' HB3' ' A' ' 92' ' ' LEU . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.819 ' HD3' HD11 ' A' ' 82' ' ' LEU . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 74' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.555 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 92' ' ' LEU . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.74 ' OG1' HG22 ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.772 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 94' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' SER . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.591 ' H ' HD13 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.732 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 1.027 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.982 HD12 HD11 ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.751 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.725 HD11 ' HG3' ' A' ' 76' ' ' GLN . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.769 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.939 HD13 ' HB3' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.716 HG22 HD21 ' A' ' 25' ' ' LEU . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.676 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' H ' ' CG ' ' A' ' 52' ' ' ASP . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.982 HD11 HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' A' ' 92' ' ' LEU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.779 ' CG2' HD13 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.779 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' O ' HD11 ' A' ' 40' ' ' ILE . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.725 ' HG3' HD11 ' A' ' 27' ' ' ILE . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.526 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.755 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.625 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 16' ' ' THR . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.755 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.68 20.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -87.57 159.67 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.18 135.8 2.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB3' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -148.7 -66.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 5' ' ' SER . 3.7 mp -126.83 174.44 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -58.39 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 53.59 174.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.86 -53.96 1.72 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -75.01 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 82.29 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD12 ' OE1' ' A' ' 93' ' ' GLU . 6.0 tt -107.31 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.525 ' CG1' HG22 ' A' ' 94' ' ' VAL . 24.3 mm -108.43 128.37 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -145.24 132.82 20.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -149.73 145.61 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.3 p -76.81 109.82 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.48 -149.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 64.15 6.8 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.647 ' CD ' HG11 ' A' ' 53' ' ' VAL . 4.8 ttmt -59.79 -114.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 29.2 mt-30 -70.61 -10.9 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.7 m-20 158.54 -73.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -127.38 -149.6 7.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.772 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.3 ptp -99.21 -4.29 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.717 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 28.59 59.35 0.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.974 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.5 131.83 53.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.974 ' N ' HD22 ' A' ' 25' ' ' LEU . 32.0 m -99.81 111.37 23.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CG2' HD11 ' A' ' 25' ' ' LEU . 18.1 pt -88.03 167.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.717 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -150.01 112.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.18 -166.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -177.85 -145.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.53 108.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.01 161.97 9.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.0 40.68 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.741 . . . . 0.0 109.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.61 -104.95 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.1 16.63 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 0.782 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 60.06 39.84 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 pttp 178.77 91.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -90.17 141.65 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 116.56 6.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.695 HG21 HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -72.58 131.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.48 127.54 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG13 ' CD2' ' A' ' 25' ' ' LEU . 99.1 t -66.34 128.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -91.44 -33.19 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.1 p -169.73 -168.8 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.01 136.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.717 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.4 t -54.21 -16.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 11.6 ttmt 60.72 40.72 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.27 28.05 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.67 160.2 26.52 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.58 -38.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.03 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.547 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.4 t0 -66.85 -7.3 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.4 t -90.79 -26.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 50' ' ' ALA . 29.3 t70 -83.78 8.81 13.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.53 54.3 4.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -155.54 -41.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.626 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -69.96 154.04 42.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.6 -169.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.24 112.29 5.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.05 43.39 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -125.2 79.72 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 1.9 tt0 -72.43 109.6 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.3 mp -88.45 116.91 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.04 -22.98 38.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.8 p -164.34 157.59 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.649 ' CG2' HD13 ' A' ' 71' ' ' LEU . 15.2 m -142.73 124.39 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 53.45 34.76 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -32.19 5.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.69 118.39 14.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -56.87 138.27 53.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.21 -4.68 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.4 p -69.02 55.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 133.87 42.9 0.14 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.946 HD12 HD12 ' A' ' 71' ' ' LEU . 9.2 mt -106.85 174.8 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 77' ' ' GLU . 22.4 t -109.82 133.66 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 8.4 pt20 -37.53 -32.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -61.53 -59.14 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -69.93 -49.43 52.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.42 -47.67 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -60.33 -46.26 90.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -57.07 -38.67 73.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -46.22 64.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.96 -13.68 62.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 23.4 m -69.3 -75.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -76.22 52.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.665 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.33 -30.8 42.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.563 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.72 -178.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 17' ' ' LEU . 54.6 p -66.34 7.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -142.43 128.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.53 118.47 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 91' ' ' THR . 6.3 t -122.0 97.9 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.84 159.79 38.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.611 ' OE1' HD12 ' A' ' 12' ' ' ILE . 3.7 mm-40 -104.67 118.37 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.605 ' CG1' HD23 ' A' ' 92' ' ' LEU . 1.4 m -117.84 161.09 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.2 159.77 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -113.45 -177.94 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -105.31 -28.76 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.34 113.54 0.56 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . -172.13 -179.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.774 ' O ' HG23 ' A' ' 100' ' ' ILE . 6.1 tp 31.33 69.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 20.4 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.39 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.62 62.82 3.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.37 75.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.08 125.62 22.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.64 62.96 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -169.3 127.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.39 107.2 17.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.06 162.62 55.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.03 178.36 7.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 2.8 tt0 79.0 -73.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . 1.2 tt -98.89 99.9 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 12' ' ' ILE . 1.7 mp -107.04 128.6 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 2.0 t -154.36 128.08 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.42 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.22 146.74 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 17' ' ' LEU . 7.9 t -71.75 116.82 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -59.69 -150.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.603 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 58.46 12.55 2.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 16' ' ' THR . 25.1 mttt -66.41 -98.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.4 tp60 -70.46 -34.36 72.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.32 -29.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.635 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.75 -151.5 5.92 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 10.7 ttm -99.71 -34.61 10.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.66 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 47.96 62.87 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -133.51 127.79 33.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.055 ' N ' HD12 ' A' ' 25' ' ' LEU . 15.9 m -100.16 106.32 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.665 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.4 pt -84.31 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -159.98 107.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.04 -164.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.01 -144.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER 177.5 108.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.86 159.65 9.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.17 43.73 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.58 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -113.77 0.02 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.35 34.95 24.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.53 81.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -90.19 131.51 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.15 118.71 15.31 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 29' ' ' ALA . 19.2 mm -68.82 113.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.586 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 5.2 t80 -129.85 126.43 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.75 HG22 HD11 ' A' ' 25' ' ' LEU . 22.1 t -68.84 134.31 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.75 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.63 -33.87 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 51.5 p -171.43 -162.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.645 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.9 m -145.95 140.61 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.5 t -54.41 -18.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.645 ' HG3' HG23 ' A' ' 45' ' ' VAL . 9.8 mtpt 60.64 40.93 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.44 29.42 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.75 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.29 164.39 27.29 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.49 -38.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.39 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 32.1 t70 -60.73 -8.74 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.28 -25.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 50' ' ' ALA . 84.4 m-20 -80.97 3.79 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 48.14 51.12 20.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.59 -42.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.913 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -63.41 152.0 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -60.73 124.38 20.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.586 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 112.22 16.18 9.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -99.05 95.38 7.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 23.6 mt-30 -84.29 109.64 17.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.752 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.9 mp -85.13 113.78 21.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.66 -31.68 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.448 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 4.3 p -161.33 154.99 21.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.865 HG11 HD22 ' A' ' 71' ' ' LEU . 28.9 m -141.06 124.8 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 57.19 34.5 24.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.99 -29.24 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HG2' HD11 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -76.27 121.31 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.506 ' O ' HD11 ' A' ' 74' ' ' LEU . 75.0 m -54.35 138.25 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 74' ' ' LEU . 4.7 tp -121.49 -1.96 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.4 p -68.33 55.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 114.3 69.62 0.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.075 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.24 -76.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t 152.84 127.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.2 tt0 -39.92 -36.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -53.4 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -70.94 -58.85 3.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.6 -41.98 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -64.97 -48.38 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.21 -42.36 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -55.15 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -26.29 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' THR . 16.8 m -66.67 -80.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.7 60.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.66 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -92.71 -31.48 15.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.55 -178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 22.8 p -61.73 3.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 87' ' ' SER . 22.7 t -133.69 128.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -128.68 117.18 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.49 102.19 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.51 148.99 52.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 39.3 mt-10 -100.01 110.94 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 13' ' ' ILE . 1.3 m -119.93 142.27 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.23 177.23 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.13 -63.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.81 109.83 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.78 90.88 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 57.44 105.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mm -128.47 150.32 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.3 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.6 104.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.38 68.38 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -65.59 137.14 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tp 61.62 64.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.21 96.04 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mttm 49.02 46.97 22.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 64.97 89.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.8 tp10 -141.36 92.95 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 13' ' ' ILE . 16.7 pt -74.78 170.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.002 HD12 HD23 ' A' ' 92' ' ' LEU . 2.6 pt -154.93 129.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -151.37 111.27 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG11 ' OD2' ' A' ' 54' ' ' ASP . 30.3 m -150.06 148.06 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 14.4 p -78.47 122.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -61.72 -144.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 48.96 18.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' N ' ' C ' ' A' ' 17' ' ' LEU . 21.8 ttmt -74.76 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.89 -34.03 71.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 110.258 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 159.65 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.677 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -156.4 -145.42 4.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.6 ttm -110.21 -10.65 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.36 65.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.008 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -134.47 126.59 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.008 ' N ' HD22 ' A' ' 25' ' ' LEU . 26.3 t -99.07 111.69 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.916 HG21 ' HE1' ' A' ' 83' ' ' MET . 19.6 pt -91.5 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.782 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.16 158.44 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 95.74 -173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 169.69 126.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 26.6 tttt -81.95 108.18 15.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.34 132.64 1.38 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.65 44.6 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.22 -126.99 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 24.02 5.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 14.5 m-20 59.06 36.58 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 166.06 92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tt -88.57 140.48 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -60.13 113.93 5.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 31.2 mm -80.86 121.97 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.666 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.12 132.52 23.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 59' ' ' ALA . 42.9 t -62.31 132.31 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.1 ptpt -90.8 -30.49 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 87.4 p -178.24 -167.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.36 133.79 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.8 t -54.62 -17.38 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 16.7 ttmt 60.41 40.58 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.01 30.15 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.758 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.44 164.58 27.67 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.674 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -49.54 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.0 t0 -55.92 -12.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -84.22 -27.04 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -78.06 0.53 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.48 51.3 27.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -160.39 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD12 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mt -68.88 133.98 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' ALA . . . -179.1 160.97 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.91 128.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 115.75 -18.5 14.83 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' OD2' HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -64.28 125.18 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 12.0 tt0 -109.63 110.73 21.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -85.45 114.29 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.8 -39.09 24.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -154.65 158.51 39.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.046 HG13 HD12 ' A' ' 92' ' ' LEU . 57.7 t -140.83 124.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.25 34.55 17.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.05 -31.21 5.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 117.22 17.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -51.23 138.61 20.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -121.43 -1.25 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 72' ' ' VAL . 8.0 p -68.96 53.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 130.96 45.42 0.16 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 74' ' ' LEU . 7.1 mt -109.4 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -43.04 131.59 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.7 tt0 -39.39 -43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.77 -53.15 60.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -67.4 -58.02 5.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.62 42.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -62.97 -44.18 96.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.53 -41.77 86.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.01 35.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.916 ' HE1' HG21 ' A' ' 27' ' ' ILE . 13.3 mtm -65.46 -12.72 55.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.4 m -78.59 -80.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.35 58.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.703 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -86.04 -31.34 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.425 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.52 -178.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 p -62.09 -0.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' A' ' 87' ' ' SER . 24.6 t -130.31 128.14 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.23 116.86 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.924 ' C ' HD13 ' A' ' 92' ' ' LEU . 9.2 t -124.53 104.67 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.046 HD12 HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.43 174.05 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 10.4 mt-10 -135.29 110.99 9.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 11' ' ' GLU . 2.8 m -110.32 -166.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -175.53 167.92 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.32 79.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 172.99 90.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -46.5 140.38 6.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.91 156.83 5.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 tp -173.03 130.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.08 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.21 173.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.98 -148.12 6.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 p -63.17 -63.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER 79.58 87.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 177.58 -63.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -110.89 111.03 21.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.98 171.26 7.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.03 -164.24 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER 154.83 -88.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.237 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.691 HG22 ' HG2' ' A' ' 93' ' ' GLU . 12.0 pt -101.0 169.77 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 92' ' ' LEU . 2.8 tp -167.6 128.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HA ' ' A' ' 91' ' ' THR . 27.3 m -138.82 135.25 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -149.94 145.13 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.683 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.8 -149.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 56.35 15.77 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -75.6 -94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tm0? -70.55 -34.56 72.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.9 m-20 159.22 -37.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -147.91 -161.12 9.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.576 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.7 ptp -98.18 -8.58 27.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.02 62.94 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -123.4 120.52 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.747 ' N ' HD23 ' A' ' 25' ' ' LEU . 14.5 t -94.17 105.44 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 20.9 pt -88.0 173.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.41 110.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.2 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.46 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 6.8 ptmm? -90.03 108.19 19.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.3 163.59 11.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.65 36.97 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -165.11 -71.28 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -156.75 28.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.6 39.51 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 177.74 128.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.0 tt -139.8 142.21 36.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.05 114.02 6.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' O ' ' A' ' 74' ' ' LEU . 27.1 mm -74.78 110.41 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -130.07 132.49 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 59' ' ' ALA . 54.8 t -63.71 133.0 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -89.96 -33.24 16.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -177.66 -168.11 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HB ' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -129.95 132.91 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.672 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 7.2 t -54.65 -16.95 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER 58.75 40.7 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.33 27.54 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.749 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.48 159.88 26.83 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -52.42 -79.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.8 t0 -62.65 -8.69 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.749 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -87.64 -28.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 50' ' ' ALA . 28.7 t0 -79.91 2.58 22.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 49.19 47.85 33.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 -45.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.64 142.69 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 174.42 153.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.67 143.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 94.55 -11.25 70.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -65.42 65.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -52.26 109.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 3.1 mp -81.14 111.86 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.53 -31.5 32.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.9 p -162.26 161.68 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.673 ' CG2' HD13 ' A' ' 71' ' ' LEU . 85.9 t -144.59 121.61 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 53.64 34.58 19.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.76 5.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.59 116.77 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.01 138.54 30.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -5.92 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.2 p -69.33 55.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.35 45.11 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.029 HD12 HD12 ' A' ' 71' ' ' LEU . 7.2 mt -107.17 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.482 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -112.89 138.46 49.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 11.8 tt0 -39.86 -50.36 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -49.17 66.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -67.81 -65.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -46.09 -35.67 5.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.19 -42.13 76.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -62.84 -40.37 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.24 -45.54 66.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.486 ' O ' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -68.94 -17.61 63.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 1.5 m -67.7 -77.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 57.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.699 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -84.81 -31.35 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.97 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 73.8 p -64.5 8.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' A' ' 87' ' ' SER . 13.6 t -140.82 128.87 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.699 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -126.21 118.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 91' ' ' THR . 13.8 t -122.76 98.73 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.731 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.23 171.55 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.691 ' HG2' HG22 ' A' ' 12' ' ' ILE . 98.9 mt-10 -112.27 132.78 54.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.1 m -131.89 150.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.81 151.24 38.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.684 ' HE3' ' HB2' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -171.32 -66.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -176.55 137.95 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 47.0 -104.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.684 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . . . 70.25 161.49 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -176.36 141.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.02 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.78 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.63 -66.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 171.51 12.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.45 ' C ' HD22 ' A' ' 6' ' ' LEU . 81.3 p -166.69 173.4 9.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD22 ' C ' ' A' ' 5' ' ' SER . 4.3 mm? -123.29 -64.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.04 122.81 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -169.89 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.81 -56.3 12.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.3 Cg_endo -75.06 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 81.06 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 tt -112.65 110.04 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 HG22 ' A' ' 94' ' ' VAL . 29.4 mm -111.92 126.34 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -145.63 122.54 11.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 p -150.78 148.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' SER . 34.6 p -69.23 120.65 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.25 -134.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.8 ttpt 68.43 -62.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.807 ' CB ' ' HB2' ' A' ' 50' ' ' ALA . 2.1 tmtm? 18.91 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 21.5 mt-30 -70.37 -10.59 59.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 4.7 m-20 158.89 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -123.49 -157.8 9.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.797 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 5.1 ptp -98.37 -10.24 24.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.19 63.4 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.83 ' CD2' HG13 ' A' ' 45' ' ' VAL . 2.7 tm? -119.77 136.91 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.795 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.9 m -104.51 106.42 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.9 pt -90.14 175.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 4.7 p -160.26 115.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 160.46 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 75' ' ' SER . . . -171.14 -148.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 10.9 tttt -172.56 108.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.48 169.44 11.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.07 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.68 -110.94 0.43 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.82 19.2 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 2.1 m-20 59.17 34.94 23.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 175.65 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.3 tt -140.51 146.41 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -63.63 116.57 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.523 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 10.0 mm -76.66 112.84 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -129.94 144.76 51.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 61' ' ' ASP . 79.3 t -77.88 131.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.52 -34.76 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -175.32 -162.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -131.95 144.28 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.604 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 3.4 t -60.12 -16.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 1.9 tttm 60.38 40.99 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.68 32.37 0.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.674 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.0 159.22 27.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' CB ' ' A' ' 19' ' ' LYS . . . -40.58 -39.1 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.62 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 5.1 t70 -65.34 -8.65 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.676 HG11 ' HD2' ' A' ' 19' ' ' LYS . 1.4 t -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.681 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -88.32 10.39 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.16 29.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 54' ' ' ASP . 1.3 mtm180 -123.78 -1.84 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -112.12 156.9 21.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.07 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -48.95 156.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 84.69 -10.43 62.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.648 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -67.88 63.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' GLY . 13.5 tt0 -63.1 109.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.726 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.0 mp -83.45 116.52 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -80.78 -36.23 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -162.71 147.04 11.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.95 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG12 ' HB2' ' A' ' 92' ' ' LEU . 22.0 m -128.38 127.69 67.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 t0 53.29 34.58 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -36.1 3.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -71.35 118.53 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 12.4 m -54.37 138.69 39.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 74' ' ' LEU . 1.4 tp -121.87 0.28 9.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.703 ' HB ' HD13 ' A' ' 64' ' ' LEU . 14.0 p -56.91 -10.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -161.65 52.04 0.33 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 71' ' ' LEU . 11.2 mt -110.31 106.42 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' ALA . 11.3 t -41.92 138.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -40.53 -31.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.9 -53.66 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.4 -51.24 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.55 -38.99 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.44 -43.56 90.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.65 -41.4 97.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -70.1 -51.98 27.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.52 ' CE ' HD13 ' A' ' 27' ' ' ILE . 35.2 mtm -62.55 -17.94 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -71.73 -80.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -69.54 57.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.593 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.47 -31.03 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.94 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.05 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' THR . 27.3 p -64.85 5.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -135.11 128.37 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -129.95 117.79 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 91' ' ' THR . 9.5 t -123.82 93.93 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.688 ' HB2' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -132.82 155.3 49.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 23.7 mt-10 -100.67 125.91 47.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 92' ' ' LEU . 3.2 m -124.45 155.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.78 153.55 43.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER 72.87 66.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.23 82.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.78 157.38 47.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.79 -67.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.9 -68.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.58 99.29 10.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.62 -85.52 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 13.2 t 59.21 159.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -163.35 137.28 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -143.3 177.44 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.71 138.82 40.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 3.2 mm-40 166.67 -55.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.01 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER 157.88 -91.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.747 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.71 169.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.811 HD11 ' CG1' ' A' ' 94' ' ' VAL . 5.3 pt -157.82 128.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 123.09 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.4 m -149.61 146.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.0 p -75.11 114.55 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.18 -150.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.656 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.39 9.05 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 mtpt -59.25 -116.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -70.65 -10.98 60.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.9 m-20 158.3 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.575 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -128.59 -148.2 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.748 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.6 ptp -99.39 -10.04 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.682 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.53 62.08 0.1 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 26' ' ' SER . 2.2 tm? -120.4 129.66 54.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.722 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 m -96.67 104.37 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE ' ' A' ' 83' ' ' MET . 21.1 pt -87.85 170.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.853 HG23 ' HE2' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -152.96 110.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 161.53 -170.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.76 129.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -89.7 108.25 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.97 170.11 14.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.21 36.52 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.41 -64.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -159.25 25.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.35 38.8 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 5.3 ttpt 178.93 127.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 39' ' ' GLY . 6.7 tt -140.31 146.23 38.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.516 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -68.57 117.61 8.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.797 HD13 ' HB3' ' A' ' 29' ' ' ALA . 4.7 mm -75.95 117.96 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 0.726 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -136.06 131.66 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.61 HG11 HD21 ' A' ' 25' ' ' LEU . 89.4 t -70.6 129.7 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.853 ' HE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -91.68 -33.21 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 26' ' ' SER . 71.2 p -172.75 -165.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -132.45 139.06 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.682 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 8.8 t -57.45 -16.36 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 60.53 40.79 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.5 27.61 0.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.714 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.43 157.76 25.75 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.5 -36.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.43 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD2' ' HB ' ' A' ' 45' ' ' VAL . 4.9 t0 -67.16 -6.95 19.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.714 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t -89.97 -29.5 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.1 t0 -85.74 12.35 9.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.31 48.37 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -140.86 -40.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.14 162.19 29.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.23 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -59.72 137.78 57.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.57 41.64 4.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -118.08 73.84 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 2.5 tt0 -63.82 109.73 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.9 mp -81.87 113.87 20.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.3 -34.49 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -160.85 159.84 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' LEU . 93.4 t -144.28 122.97 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 53.15 34.46 17.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.94 -31.41 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -73.47 118.46 16.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -53.81 138.37 36.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.947 HD22 ' HG ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.75 -1.19 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.6 p -71.18 51.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 137.0 57.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.947 ' HG ' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -110.42 179.96 3.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -113.4 133.44 55.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 17.2 pt20 -39.09 -28.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.8 mp0 -75.0 -54.49 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -59.15 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . . . -44.91 -43.3 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -62.07 -50.28 72.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.88 -39.9 69.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -45.79 74.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 15.7 mtm -68.11 -15.59 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' THR . 94.4 m -73.48 -78.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.58 60.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.565 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -95.06 -31.18 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.66 -178.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' LEU . 56.4 p -64.41 7.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.584 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -136.68 128.27 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.674 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.19 117.4 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 91' ' ' THR . 9.0 t -124.82 97.17 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.98 165.36 24.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 3.0 mp0 -110.94 132.46 54.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.811 ' CG1' HD11 ' A' ' 13' ' ' ILE . 3.4 m -132.81 139.63 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.6 165.66 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.07 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.72 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -138.59 153.81 22.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 178.38 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 pt -54.34 170.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 tp -134.56 -66.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.98 96.94 2.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -172.31 139.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tp -156.05 -68.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 120.52 21.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 176.92 167.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.5 159.52 0.67 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.78 17.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' OE2' HD11 ' A' ' 13' ' ' ILE . 9.4 tt0 -128.09 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 93' ' ' GLU . 1.3 pp -74.69 110.33 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.651 HD12 HG21 ' A' ' 94' ' ' VAL . 19.2 mt -98.57 129.47 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' THR . 6.3 t -158.04 109.92 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.54 149.85 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.0 p -72.71 114.16 10.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -64.57 -151.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.572 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 66.88 5.69 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 10.8 mtpp -56.11 -99.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.5 -34.33 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.66 -27.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -158.1 -164.58 14.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 19.3 ptp -98.87 -8.48 25.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.47 61.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.036 HD12 HD13 ' A' ' 57' ' ' LEU . 3.8 tt -118.56 131.91 56.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.84 ' N ' HD23 ' A' ' 25' ' ' LEU . 40.0 m -100.03 107.01 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD11 ' HG3' ' A' ' 76' ' ' GLN . 16.0 pt -88.52 172.59 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.34 111.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.759 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 163.1 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 165.26 130.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -86.48 108.39 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.64 176.39 18.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.2 35.2 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.69 -79.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -142.29 28.83 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER 54.37 39.62 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER 178.26 132.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.839 HD23 ' N ' ' A' ' 39' ' ' GLY . 8.3 tt -139.86 153.21 46.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.839 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -75.98 118.36 5.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.976 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.4 mm -72.06 116.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 130.66 34.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 25' ' ' LEU . 44.6 t -70.71 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.636 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -92.13 -32.87 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' C ' ' HB2' ' A' ' 26' ' ' SER . 60.4 p -174.11 -160.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.551 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -135.46 140.15 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.65 -16.97 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 2.4 tttt 60.72 40.99 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.85 30.44 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.708 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -143.53 162.03 27.68 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.71 -37.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 57' ' ' LEU . . . -54.02 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.551 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 1.6 t0 -63.25 -8.62 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.708 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.5 t -89.36 -31.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.671 ' N ' ' O ' ' A' ' 50' ' ' ALA . 22.9 t70 -86.35 9.89 16.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.13 42.51 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -131.51 -40.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.036 HD13 HD12 ' A' ' 25' ' ' LEU . 7.8 mt -77.78 158.76 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 160.34 161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.729 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -37.79 129.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.52 46.86 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.764 ' OD2' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -127.48 87.66 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.81 109.73 17.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.001 HD12 HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -93.4 116.79 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -24.68 37.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.532 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 1.4 m -165.86 155.97 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' ' 92' ' ' LEU . 22.6 t -142.61 128.27 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 55.83 34.5 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.63 -29.83 5.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.26 117.37 17.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 0.719 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.532 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 60.7 p -58.3 138.6 56.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.001 HD22 HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -121.53 1.7 10.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 72' ' ' VAL . 8.8 p -68.03 53.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.87 42.01 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.976 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.9 mt -109.68 134.57 51.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -66.83 143.94 56.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.6 tt0 -39.87 -49.31 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.24 -49.19 70.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -66.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -43.76 -41.0 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.14 -48.48 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.1 tp10 -54.11 -38.89 65.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -50.3 39.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -15.73 58.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 65.6 m -70.3 -80.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -69.93 58.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.641 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.5 -31.28 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.61 -178.59 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 58.1 p -65.6 11.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -142.1 128.54 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -130.06 116.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' THR . 3.1 t -125.67 101.47 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.75 156.35 45.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 12' ' ' ILE . 15.6 mp0 -99.58 100.09 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG11 ' OD2' ' A' ' 61' ' ' ASP . 2.3 t -101.35 170.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' H ' HG12 ' A' ' 94' ' ' VAL . . . -157.54 152.0 25.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -68.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -140.14 -175.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -99.06 136.62 12.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 176.2 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 tt -167.7 167.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.034 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.74 6.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.23 124.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.11 -177.22 20.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 p -154.28 151.44 29.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.58 175.41 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.58 100.14 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 2.2 mm-40 172.83 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.0 168.28 25.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 1.2 tp10 80.74 -58.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -123.73 101.31 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 92' ' ' LEU . 18.8 pt -103.46 132.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 9.0 p -143.81 117.04 8.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -142.52 147.02 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 68.8 p -75.04 112.54 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.45 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' H ' HD13 ' A' ' 17' ' ' LEU . 15.9 ttpt 63.04 9.53 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LYS . 9.9 mttt -58.63 -116.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.4 mt-30 -70.67 -11.13 60.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 3.5 m-20 158.32 -69.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.614 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -130.79 -150.51 6.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.654 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 19.6 ptp -98.81 -10.07 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.645 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.98 61.78 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 57' ' ' LEU . 5.5 tt -121.73 136.77 54.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.794 ' N ' HD23 ' A' ' 25' ' ' LEU . 31.2 t -104.76 107.69 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.961 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.688 HD11 ' HG2' ' A' ' 76' ' ' GLN . 16.5 pt -86.41 172.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.719 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -156.77 111.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 159.63 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 165.6 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 108.14 19.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.63 141.53 3.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.45 35.35 22.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.29 -97.23 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -133.78 28.45 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 31.7 m-20 53.39 39.72 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 2.1 ttpt 164.89 96.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -89.79 156.06 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.75 85.32 1.08 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 10.3 mm -50.39 109.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -131.46 134.48 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 HD21 ' A' ' 25' ' ' LEU . 53.0 t -70.78 131.81 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.19 -31.18 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.4 p -172.94 -160.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.048 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -140.54 140.3 34.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.645 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.3 t -54.58 -16.93 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER 60.53 40.72 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.36 29.96 0.13 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.747 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.19 167.17 26.96 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.87 -37.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -52.61 -82.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.564 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 2.9 t0 -63.6 -7.75 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.3 t -89.1 -30.89 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.685 ' N ' ' O ' ' A' ' 50' ' ' ALA . 35.5 t70 -86.74 8.66 21.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.61 37.02 0.78 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 -38.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.733 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 25' ' ' LEU . 8.0 mp -73.96 156.0 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.86 175.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.86 138.0 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 99.23 -10.61 61.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -67.35 60.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 tt0 -57.01 109.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.8 mp -82.63 113.12 20.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.2 OUTLIER -81.44 -28.66 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -171.06 152.32 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' HB3' ' A' ' 92' ' ' LEU . 44.2 t -132.22 131.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.83 34.7 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.0 118.72 12.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 41.0 m -52.75 138.41 29.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -121.5 -6.38 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 9.4 p -69.28 55.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.79 39.88 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 71' ' ' LEU . 7.9 mt -110.4 124.29 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.2 p -57.03 146.39 27.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.688 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -40.3 -51.79 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.245 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.24 -47.12 69.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -67.73 -67.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.51 -38.3 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -69.06 -42.45 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' OE2' ' CD ' ' A' ' 85' ' ' ARG . 7.8 tm-20 -60.07 -39.84 87.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.35 -46.1 64.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -18.24 65.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.0 m -69.39 -78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CD ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -70.52 58.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.72 -31.27 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.8 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.3 m -64.89 6.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.175 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.6 p -138.75 128.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -127.39 117.48 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 91' ' ' THR . 10.5 t -124.8 94.99 4.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.815 ' HB3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -133.22 165.55 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 40.4 mt-10 -106.35 130.66 54.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 92' ' ' LEU . 3.2 m -130.87 139.38 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.09 159.96 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -153.89 -65.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -167.39 147.82 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.51 -172.08 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.77 177.88 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 101' ' ' TYR . 34.2 mm -128.33 152.43 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 Cg_endo -75.04 -37.14 2.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.3 mt 63.63 -79.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 87.34 124.84 1.96 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -171.84 169.07 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.0 156.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -82.38 77.33 9.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -177.91 173.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER 74.03 167.32 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -75.02 -178.84 4.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 4.1 tt0 83.44 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -99.5 111.12 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 92' ' ' LEU . 6.0 mm -114.4 128.76 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -143.01 133.34 24.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.2 m -148.3 143.27 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.54 108.7 10.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -69.43 -142.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' H ' HD13 ' A' ' 17' ' ' LEU . 11.6 tttt 46.33 23.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.731 ' CD ' HG11 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -88.22 -89.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -70.68 -34.32 71.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER 159.59 -39.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.824 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -152.39 -155.67 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.54 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 17.7 ptp -99.11 -2.36 37.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.709 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 25.88 57.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.093 HD12 ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -126.34 128.85 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.093 ' N ' HD12 ' A' ' 25' ' ' LEU . 48.8 m -101.01 108.58 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 19.3 pt -83.72 173.94 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.733 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -160.57 111.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.72 -166.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -178.27 -149.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -165.9 108.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -174.19 16.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.95 35.68 19.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.64 -106.09 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.4 pt20 -97.8 23.33 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 4.7 m-20 60.14 40.11 18.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER 163.66 142.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 1.2 tt -139.97 125.32 18.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' HB1' ' A' ' 29' ' ' ALA . . . -56.68 136.88 49.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 HD23 ' A' ' 71' ' ' LEU . 24.9 mm -81.91 118.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.611 ' CE1' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -134.33 128.06 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.054 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 25' ' ' LEU . 37.3 t -68.54 131.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.41 -34.42 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -170.09 -164.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG23 ' HG3' ' A' ' 47' ' ' LYS . 2.4 m -142.45 141.0 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.709 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.8 t -54.3 -17.32 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.248 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HG3' HG23 ' A' ' 45' ' ' VAL . 3.9 mttm 60.98 40.73 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.85 28.19 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.752 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -140.81 164.65 26.36 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.668 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.86 -37.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.03 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 29.7 t70 -61.52 -9.42 5.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.5 t -88.65 -25.5 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.1 t0 -83.24 2.69 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.87 51.38 18.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -43.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.961 HD12 HD22 ' A' ' 25' ' ' LEU . 2.7 mm? -62.76 162.46 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.08 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -69.2 136.95 52.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.611 ' O ' ' CE1' ' A' ' 41' ' ' TYR . . . 105.25 -7.62 43.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.843 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.39 107.3 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 7.8 tt0 -96.38 109.95 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 92' ' ' LEU . 3.5 mp -88.21 116.52 26.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 64' ' ' LEU . 8.2 tt -81.16 -26.87 35.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.6 p -163.06 159.26 23.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.702 ' CG2' HD13 ' A' ' 71' ' ' LEU . 12.7 m -141.69 121.11 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.91 34.42 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 -36.77 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 116.57 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -56.23 138.15 50.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -121.4 -3.32 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.801 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.8 p -69.44 54.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 129.76 49.36 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.033 HD12 HD12 ' A' ' 71' ' ' LEU . 6.7 mt -109.14 -178.53 3.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -110.88 136.38 49.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 tt0 -40.2 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.91 -53.06 29.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -52.35 42.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.61 -38.47 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -65.59 -41.43 92.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 84' ' ' THR . 12.4 mt-10 -62.12 -40.21 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -70.25 -50.11 43.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.506 ' O ' ' CE ' ' A' ' 23' ' ' MET . 8.7 mtm -63.82 -20.34 65.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 85' ' ' ARG . 1.3 m -66.28 -79.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -73.42 56.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.682 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -83.59 -31.17 26.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.19 -178.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.1 p -65.85 5.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -142.05 128.15 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.02 119.1 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 91' ' ' THR . 14.7 t -120.48 96.72 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.67 170.47 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 9.2 mt-10 -115.46 119.2 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.843 HG11 ' CG ' ' A' ' 61' ' ' ASP . 2.2 t -120.68 162.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.38 157.04 37.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 179.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.6 105.62 17.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.88 -170.51 26.71 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 100' ' ' ILE . . . -177.21 135.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 101' ' ' TYR . 0.8 OUTLIER 73.84 167.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.435 ' N ' HG23 ' A' ' 100' ' ' ILE . 92.0 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 57.51 4.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.2 mt -147.56 174.17 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.95 -157.4 14.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -83.96 -58.31 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.65 101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 101.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 179.0 124.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -46.19 -53.34 23.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.07 112.06 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.0 mm-40 160.42 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 6.8 tt -101.32 169.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.531 HG22 ' CD2' ' A' ' 92' ' ' LEU . 2.8 tp -172.43 128.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -150.09 136.57 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.434 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.45 147.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.4 p -71.65 112.58 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -71.38 -151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 63.35 7.55 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -65.08 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 53' ' ' VAL . 3.8 mt-30 -70.53 -33.52 71.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.71 ' ND2' ' H ' ' A' ' 22' ' ' GLY . 1.1 p-10 169.35 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.71 ' H ' ' ND2' ' A' ' 21' ' ' ASN . . . -119.75 -156.15 9.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.658 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.5 ptp -97.62 -9.81 26.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 29.01 61.97 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 26' ' ' SER . 1.8 tm? -124.12 128.47 49.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.742 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.3 m -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.763 HD11 ' HG2' ' A' ' 76' ' ' GLN . 20.8 pt -88.39 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -142.45 163.84 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . . . 83.72 175.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . -150.22 -138.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -169.94 108.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.54 161.83 9.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.55 36.75 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.75 -100.14 0.14 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.14 19.6 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.97 37.08 21.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 92.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.441 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.6 tt -88.94 150.24 22.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -62.03 101.46 0.37 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mm -76.67 127.6 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.21 134.6 19.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.655 HG12 ' HA ' ' A' ' 59' ' ' ALA . 70.3 t -58.86 129.34 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -88.23 -33.57 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.2 p -177.56 -163.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' CG1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -133.35 132.58 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.631 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 9.6 t -54.47 -18.67 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 3.3 ttmt 60.63 40.77 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.85 27.71 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.694 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.5 158.24 26.9 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -36.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.96 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 6.1 t0 -69.06 -5.93 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -90.96 -29.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 50' ' ' ALA . 20.5 p30 -80.2 3.74 19.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.63 48.79 17.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -145.98 -43.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.2 154.49 31.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 163.21 155.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.655 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -39.06 138.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.566 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.77 -14.18 49.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.667 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -69.55 59.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 9.9 tt0 -49.56 109.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.1 mt -77.58 109.93 11.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.76 -32.44 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 1.4 m -167.74 152.46 6.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.623 ' CG2' HD13 ' A' ' 71' ' ' LEU . 53.2 t -131.32 127.9 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 52.92 34.48 16.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.77 -34.85 4.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -69.53 117.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.8 m -52.62 138.53 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.057 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.61 -2.9 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 72' ' ' VAL . 6.3 p -68.32 55.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.41 39.11 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 71' ' ' LEU . 7.6 mt -110.17 109.17 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' LYS . 27.9 t -41.6 137.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.763 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.7 tt0 -39.9 -40.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -54.7 28.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -73.54 -54.46 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -48.38 -38.25 18.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -73.75 -47.79 36.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.13 -43.07 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.2 mt -69.97 -45.47 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.542 ' CE ' HG21 ' A' ' 27' ' ' ILE . 13.8 mtm -64.74 -14.08 57.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.4 m -69.17 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 59.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.639 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -88.26 -31.15 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.1 t 81.82 -178.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.0 p -66.84 13.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.5 OUTLIER -146.46 128.57 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.639 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -125.43 118.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 91' ' ' THR . 12.7 t -122.03 95.96 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.653 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.85 177.33 7.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.0 mt-10 -116.29 130.67 56.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.667 HG21 ' OD2' ' A' ' 61' ' ' ASP . 5.5 m -131.47 139.36 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.05 159.61 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.8 -69.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 74.57 130.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.39 -61.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.51 137.53 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 pt -144.02 174.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.12 4.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -135.81 -68.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.51 8.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -67.68 178.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 0.727 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.79 172.5 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.14 -173.51 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.43 102.82 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -79.83 -48.37 1.39 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.99 -62.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 6.0 tp10 69.32 -76.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pt -100.95 110.3 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' HG22 ' A' ' 94' ' ' VAL . 23.9 mm -118.86 127.03 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 22.1 p -147.92 123.73 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.53 145.72 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -73.29 111.97 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.92 -150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 61.33 10.84 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 15.8 mtpp -65.3 -97.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.504 ' HB2' HG21 ' A' ' 53' ' ' VAL . 8.1 tt0 -70.43 -34.33 72.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.1 m-20 159.77 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.588 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -164.07 -160.53 11.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.649 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.2 ptp -98.4 -1.19 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.68 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 18.53 59.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.09 HD12 HD13 ' A' ' 57' ' ' LEU . 5.0 tt -117.91 135.34 54.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.814 ' N ' HD23 ' A' ' 25' ' ' LEU . 54.8 m -102.69 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 76' ' ' GLN . 17.3 pt -89.99 168.92 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.7 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.4 110.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB1' HD22 ' A' ' 38' ' ' LEU . . . 162.5 -174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.88 128.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 27.5 pttt -88.85 108.21 19.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.83 129.21 1.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.11 41.67 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.32 -134.45 2.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.38 17.97 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 59.39 37.35 23.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.83 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.939 HD22 ' HB1' ' A' ' 29' ' ' ALA . 6.9 tt -89.56 154.92 19.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -73.82 80.63 0.8 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 71' ' ' LEU . 22.8 mt -48.49 115.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.08 130.62 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 65.0 t -68.56 128.62 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.13 -31.34 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.4 p -174.18 -165.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -134.36 140.35 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.68 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 16.4 t -54.73 -16.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' ASP . 8.5 ttmt 60.83 40.78 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.79 27.46 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -139.58 159.24 25.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.31 -35.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -55.02 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.516 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.6 t0 -67.01 -6.0 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.715 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 1.2 t -90.71 -36.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 50' ' ' ALA . 8.6 m-20 -86.93 10.81 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ASP . . . 37.54 29.95 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -114.62 -18.58 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.09 HD13 HD12 ' A' ' 25' ' ' LEU . 9.3 mt -105.59 161.06 14.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 159.77 162.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.736 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -38.67 126.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.47 48.26 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -130.25 83.17 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 1.6 tt0 -76.83 109.44 10.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.823 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.7 mp -81.43 113.47 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.78 -33.62 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' HB3' ' HA ' ' A' ' 70' ' ' SER . 2.7 p -159.98 150.32 18.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.764 ' CG2' HD13 ' A' ' 71' ' ' LEU . 16.4 m -132.37 124.96 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.76 34.51 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.24 -34.86 4.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -71.7 117.55 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 23.9 p -51.83 138.55 23.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 74' ' ' LEU . 2.6 tp -121.41 -0.4 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.803 ' HB ' HD13 ' A' ' 64' ' ' LEU . 7.9 p -67.17 53.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 119.62 61.93 0.26 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.053 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -110.26 0.39 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.502 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER 69.69 128.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.785 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 tt0 -39.02 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.43 -60.11 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.63 -48.26 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.756 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -48.73 -36.87 17.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -72.88 -48.34 38.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' O ' ' HB ' ' A' ' 84' ' ' THR . 24.5 mt-10 -54.41 -37.66 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' VAL . 1.4 mm? -70.9 -51.1 28.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.507 ' CE ' HG21 ' A' ' 27' ' ' ILE . 21.8 mtm -62.09 -15.66 46.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 18.8 m -70.51 -80.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -69.22 61.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.634 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -93.93 -31.01 14.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 89' ' ' VAL . 2.4 t 82.14 -178.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.8 p -66.42 9.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.581 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -142.24 128.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -126.77 118.98 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -123.45 90.86 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.823 ' CD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.01 158.23 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 42.0 mt-10 -100.63 135.13 42.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 92' ' ' LEU . 4.4 m -127.09 153.14 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.97 148.35 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 2.4 tttt -177.1 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.442 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 7.3 tm0? 81.71 130.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.72 -55.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.71 149.18 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.31 -36.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 175.9 10.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -179.72 139.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' H ' HD13 ' A' ' 3' ' ' LEU . . . -173.77 174.24 46.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.31 154.69 45.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.41 150.55 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.67 168.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -146.52 100.18 3.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 158.59 60.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.34 38.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 95' ' ' ALA . 26.4 tp10 -146.73 78.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pt -75.63 110.21 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.2 pp -97.05 129.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 1.8 t -156.75 112.07 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.29 147.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 30.6 p -73.99 117.05 15.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -72.56 -140.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.635 ' H ' HD13 ' A' ' 17' ' ' LEU . 28.7 ttpt 45.26 23.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.623 ' CD ' HG11 ' A' ' 53' ' ' VAL . 3.0 tttp -86.1 -91.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.6 tt0 -70.54 -34.47 72.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-20 159.35 -37.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.89 -158.4 8.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.831 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 16.8 ptp -98.82 -9.89 23.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.71 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.7 57.15 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.079 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.53 133.83 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.079 ' N ' HD22 ' A' ' 25' ' ' LEU . 22.8 t -109.82 111.02 22.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 25' ' ' LEU . 14.6 pt -85.78 174.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.02 112.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 164.99 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.92 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 161.07 127.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 75' ' ' SER . 1.1 pttt -89.47 108.17 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.91 145.52 4.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.51 41.02 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.74 -109.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 6.6 tt0 -111.19 11.19 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.5 m-20 60.21 36.97 20.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 14.8 ptpt -179.94 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.92 HD13 ' O ' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -89.16 170.12 10.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.1 -31.79 57.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 74' ' ' LEU . 3.0 mm 67.62 109.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -141.03 137.07 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 87.0 t -63.62 129.15 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -91.84 -32.62 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 82.7 p -167.82 -170.06 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -139.69 132.3 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.71 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 32.9 t -53.72 -19.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 9.0 ttmm 60.82 40.8 15.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.68 30.16 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.718 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -144.83 161.62 28.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.47 -42.61 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.97 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 6.2 t0 -58.39 -12.52 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -86.41 -20.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.3 t70 -68.56 -9.26 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.56 48.46 77.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.62 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -52.23 162.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.89 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -71.15 129.84 39.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.78 38.24 2.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' CG ' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -116.91 87.42 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 29.3 tt0 -75.03 109.66 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.859 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.9 mp -86.84 114.63 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD11 ' OE1' ' A' ' 62' ' ' GLN . 3.0 mm? -81.57 -27.33 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.8 p -162.85 159.03 23.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.83 ' CG1' HD22 ' A' ' 71' ' ' LEU . 18.1 m -139.43 123.81 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.04 34.63 20.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.85 -34.73 4.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 82' ' ' LEU . 16.2 ttt180 -69.72 124.8 24.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.431 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 25.0 p -55.77 138.45 47.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 74' ' ' LEU . 3.9 tp -121.26 -9.16 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.8 p -67.45 55.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 138.63 40.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.055 HD12 HD12 ' A' ' 71' ' ' LEU . 9.9 mt -110.01 121.22 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.5 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 1.7 t -53.47 140.79 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 4.2 tt0 -44.37 -26.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 75' ' ' SER . 1.9 mt-10 -75.65 -48.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -58.47 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.527 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.93 -43.96 19.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.94 -48.15 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.22 -39.43 44.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -68.89 -47.36 66.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -65.99 -14.18 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 m -69.5 -75.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 51.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.654 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.06 -30.84 55.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 82.58 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . 86.8 p -66.6 8.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -141.41 128.16 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -126.83 119.33 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.734 ' C ' HD12 ' A' ' 92' ' ' LEU . 14.9 t -122.36 91.22 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 91' ' ' THR . 2.0 mp -112.3 159.77 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -125.38 93.42 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG12 HD23 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -105.99 -177.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -165.17 176.47 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.4 57.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.18 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 95.82 -179.25 35.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -179.66 118.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt -105.08 -176.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.02 176.0 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.21 -149.89 7.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -177.56 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 179.99 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -46.6 125.52 7.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -169.27 115.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 61.53 111.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.3 tp10 -138.6 100.19 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 1.3 pp -74.77 169.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 13' ' ' ILE . 14.3 mm -152.83 134.39 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -157.93 117.52 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.72 HG11 ' OD2' ' A' ' 54' ' ' ASP . 2.8 p -149.75 147.3 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -76.59 115.75 16.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.754 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.82 -148.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.613 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 62.14 6.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 5.0 tttp -60.32 -115.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 26.3 tt0 -70.78 -10.55 59.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.3 m-20 158.67 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.754 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -121.51 -150.29 8.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.568 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 ptp -99.56 -0.22 40.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.704 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 24.58 58.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.047 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -121.81 132.96 54.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.047 ' N ' HD22 ' A' ' 25' ' ' LEU . 45.5 m -106.3 110.71 23.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 25' ' ' LEU . 18.6 pt -88.09 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -145.44 155.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 94.88 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.772 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 166.37 127.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -82.43 107.91 15.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.9 156.55 8.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.99 36.93 23.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.38 -120.91 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.74 12.46 29.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.81 38.37 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.81 82.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 30' ' ' ALA . 2.2 mp -81.45 153.01 27.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.08 67.84 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 6.4 mm -44.86 118.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.07 141.47 30.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 78.4 t -66.18 127.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.19 -31.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.431 ' CB ' ' HD3' ' A' ' 43' ' ' LYS . 48.4 p -173.03 -165.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -139.36 141.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.704 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 20.1 t -54.68 -17.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER 60.66 40.73 16.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.0 29.04 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.726 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.11 164.12 26.56 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.687 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.39 -37.6 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 23' ' ' MET . . . -52.59 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 12.9 t70 -61.53 -9.28 5.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.726 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 t -89.64 -25.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.72 ' OD2' HG11 ' A' ' 15' ' ' VAL . 17.5 m-20 -85.45 4.05 37.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.42 51.74 11.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 -42.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 2.6 mm? -65.22 161.02 20.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.41 172.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -56.19 149.86 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.17 32.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -107.31 104.71 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . 8.0 tm0? -88.47 109.79 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -83.74 112.9 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.65 -31.81 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 66.5 p -170.68 161.45 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.888 ' CG1' HD13 ' A' ' 71' ' ' LEU . 2.1 p -150.02 128.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t0 63.67 34.72 12.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.31 -10.81 33.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG2' HD11 ' A' ' 82' ' ' LEU . 6.2 tpt180 -92.83 126.09 37.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 58.4 m -58.63 137.95 57.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 74' ' ' LEU . 3.4 tp -121.58 -5.18 9.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.803 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.7 p -69.93 55.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . 135.06 42.04 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.105 HD12 HD12 ' A' ' 71' ' ' LEU . 5.1 mt -110.3 129.87 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -60.82 138.71 58.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.7 mt-30 -38.98 -48.98 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -52.11 43.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -63.15 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -44.27 -38.49 3.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -70.01 -48.33 58.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -40.64 63.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.81 -45.18 79.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.689 ' HE1' HG21 ' A' ' 27' ' ' ILE . 11.6 mtm -70.09 -14.15 62.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.4 m -69.51 -75.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 52.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.612 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -79.62 -31.24 41.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.98 -178.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 95.7 p -66.16 5.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -139.39 128.15 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -124.54 117.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 91' ' ' THR . 5.9 t -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.39 173.51 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -132.71 118.8 19.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 11' ' ' GLU . 2.6 m -114.97 -166.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -165.4 152.63 10.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.33 -172.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -53.84 -35.8 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.36 157.39 8.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.2 79.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.6 mt -95.04 116.36 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 19.5 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -163.8 151.86 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 163.91 18.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.39 -48.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD13 HE22 ' A' ' 62' ' ' GLN . 3.9 mm? 59.45 160.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -151.24 144.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.02 -71.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -39.12 99.82 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.25 42.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' O ' ' O ' ' A' ' 94' ' ' VAL . 2.2 tt0 -147.96 97.49 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' C ' HG13 ' A' ' 13' ' ' ILE . 6.2 pt -74.84 168.5 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 HG13 ' C ' ' A' ' 12' ' ' ILE . 94.3 mt -149.4 129.24 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -149.37 111.9 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.39 147.24 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 33.4 p -79.21 123.6 27.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.22 -150.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.645 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 63.92 7.47 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -58.46 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 17.4 tt0 -70.65 -10.79 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-20 158.21 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.64 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -122.47 -152.62 8.65 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.584 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 18.2 ptp -98.53 -10.14 23.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.667 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.0 63.42 0.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.054 HD12 ' CD2' ' A' ' 57' ' ' LEU . 3.3 tt -124.51 127.21 47.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.81 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 m -96.41 106.32 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 22.8 pt -88.32 172.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.361 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.786 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -146.81 162.43 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 28' ' ' VAL . . . 97.47 -152.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 176.58 -147.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 75' ' ' SER . 3.8 tttt -150.37 108.6 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.37 -117.29 0.76 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.5 34.88 25.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.34 64.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -119.74 -5.98 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 1.6 m-20 60.0 34.93 21.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER 175.77 156.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA2' ' A' ' 73' ' ' GLY . 1.5 tt -152.83 135.3 15.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -51.63 115.57 3.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 42.5 mm -79.69 133.18 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.719 ' O ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -152.51 134.2 14.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 25' ' ' LEU . 55.6 t -67.03 130.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.32 -32.53 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 26' ' ' SER . 59.9 p -172.96 -155.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.04 137.65 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.667 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 6.8 t -54.62 -17.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.4 40.23 17.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.21 27.86 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.762 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.22 166.62 26.33 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.42 -37.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.946 ' CB ' HD22 ' A' ' 57' ' ' LEU . . . -51.65 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.517 ' CB ' ' HA ' ' A' ' 47' ' ' LYS . 11.5 t70 -63.93 -7.24 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.0 t -88.56 -30.61 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.676 ' N ' ' O ' ' A' ' 50' ' ' ALA . 26.1 t70 -85.78 8.59 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.52 46.26 4.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -45.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.054 ' CD2' HD12 ' A' ' 25' ' ' LEU . 7.8 mp -65.03 153.14 41.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.78 154.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -36.07 126.64 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 96' ' ' LYS . . . 106.26 44.92 1.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -129.38 80.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.5 HE22 HD13 ' A' ' 6' ' ' LEU . 31.9 tt0 -69.94 109.72 4.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 71' ' ' LEU . 2.4 mp -82.73 115.18 21.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -81.6 -34.11 31.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -160.49 157.86 28.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.728 ' HB ' HD13 ' A' ' 71' ' ' LEU . 97.7 t -143.09 123.25 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.15 34.52 22.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.19 -30.23 6.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -75.07 119.8 19.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.519 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 13.2 p -53.66 138.56 34.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.24 -3.09 9.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.9 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.6 p -68.87 54.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 131.39 43.1 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 71' ' ' LEU . 6.5 mt -109.83 109.92 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -45.27 140.46 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.0 tt0 -40.39 -38.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.36 -54.94 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.42 -53.39 12.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.39 -44.26 54.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.52 -46.93 83.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 84' ' ' THR . 1.3 mt-10 -57.9 -37.05 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -70.31 -53.6 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.42 ' CB ' ' HE1' ' A' ' 23' ' ' MET . 0.3 OUTLIER -64.61 -15.44 61.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.943 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 81' ' ' GLU . 5.1 m -70.3 -77.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.108 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -72.78 57.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.577 ' HB ' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -89.52 -31.41 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER 81.66 -178.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' LEU . 90.9 p -62.62 3.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.0 OUTLIER -133.5 128.09 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -124.46 117.41 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 92' ' ' LEU . 13.1 t -125.27 100.42 6.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.45 172.07 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 14.8 mp0 -133.83 120.34 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.786 HG23 ' N ' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -125.39 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.786 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -161.64 154.56 20.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 60' ' ' GLY . 4.3 ttpm? -159.63 142.78 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -90.8 75.24 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.4 -148.03 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.32 177.4 10.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt 59.04 74.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.97 39.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.67 107.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 165.29 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.511 ' C ' HD12 ' A' ' 6' ' ' LEU . 12.4 m -88.72 167.8 13.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 97' ' ' GLN . 5.4 mp -146.61 142.3 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -123.73 156.79 35.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 83.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.17 157.61 76.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.99 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.7 tt0 83.66 -68.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 12' ' ' ILE . 11.9 tt -117.08 109.04 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.985 HD13 HD21 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.9 128.87 67.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 t -138.03 131.88 31.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.09 147.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.08 106.83 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.893 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -62.62 -150.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 66.76 4.46 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' HG11 ' A' ' 53' ' ' VAL . 28.4 mttt -60.62 -114.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 24.0 tt0 -70.62 -10.87 60.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.8 OUTLIER 158.46 -75.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.893 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -126.94 -145.41 6.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.722 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.0 ptp -98.94 -6.81 28.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.687 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.8 58.81 0.73 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -124.82 134.63 52.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.982 ' N ' HD22 ' A' ' 25' ' ' LEU . 48.3 m -102.7 110.34 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.733 ' CG2' HD11 ' A' ' 25' ' ' LEU . 16.7 pt -87.69 171.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -154.54 110.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 162.18 -172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 162.95 130.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HG2' ' CB ' ' A' ' 75' ' ' SER . 13.5 ptmt -89.29 108.14 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.37 165.79 15.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.6 37.66 28.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.66 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 pm0 -135.46 26.58 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 20.0 m-20 58.59 40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 1.4 ptmm? -179.77 131.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 30' ' ' ALA . 5.8 tt -139.74 145.08 37.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -65.06 116.01 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 71' ' ' LEU . 24.2 mm -76.9 110.95 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.3 135.85 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 71.2 t -73.49 131.1 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.752 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -91.38 -33.54 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -170.03 -166.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' HA ' ' A' ' 58' ' ' ALA . 3.0 m -138.68 140.05 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.687 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.3 t -54.04 -16.77 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 11.5 mtmm 60.69 41.06 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.07 29.94 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.784 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -138.95 165.5 25.62 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -40.05 -41.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -51.82 -78.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.548 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.4 t70 -63.09 -9.48 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -87.82 -27.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.1 t70 -79.76 2.11 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.19 53.68 10.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -160.38 -40.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.985 HD21 HD13 ' A' ' 13' ' ' ILE . 1.2 mm? -63.56 163.15 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 157.1 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -61.46 147.81 43.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.591 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 81.58 37.63 16.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.811 ' OD2' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -112.9 84.98 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' ILE . 38.0 tt0 -65.0 110.58 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 1.2 mp -81.8 113.24 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD13 ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.469 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.6 p -158.07 166.26 32.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 71' ' ' LEU . 97.3 t -148.48 122.02 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.92 34.56 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.19 -31.92 5.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.4 tpm_? -73.21 118.99 16.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 m -54.69 138.47 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.27 -3.5 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' HD13 ' A' ' 64' ' ' LEU . 9.0 p -68.97 54.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 132.76 46.4 0.12 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD12 HD12 ' A' ' 71' ' ' LEU . 7.0 mt -107.21 -175.41 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -113.77 139.35 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -45.1 -34.07 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -46.13 79.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -74.54 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -42.06 14.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -68.7 -46.29 69.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.26 -42.76 66.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 69' ' ' ARG . 7.2 mp -70.1 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -61.88 -19.0 62.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 84.9 m -64.95 -82.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -72.91 59.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.499 ' CG2' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -85.55 -31.37 22.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 81.85 -178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.1 p -62.48 1.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -134.28 127.21 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.047 HG22 ' CD1' ' A' ' 92' ' ' LEU . 8.9 p -133.71 117.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 91' ' ' THR . 4.9 t -124.41 107.13 10.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.047 ' CD1' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -133.44 160.15 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 63.7 mt-10 -100.17 123.42 44.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 HG12 ' A' ' 13' ' ' ILE . 2.4 m -129.14 154.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.02 116.32 13.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -143.07 138.24 29.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HB2' HD23 ' A' ' 6' ' ' LEU . 2.8 tm0? -74.2 96.82 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . -176.34 -89.54 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 67.01 -177.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.253 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 pt -149.54 178.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.64 35.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -172.67 164.46 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 -165.76 13.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -121.97 -46.37 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.4 mm? -84.8 115.03 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.64 123.43 23.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.37 140.34 44.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -136.26 147.67 61.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.4 Cg_endo -75.01 -62.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 87.79 -72.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.8 tt -102.4 105.95 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 94' ' ' VAL . 8.8 mt -111.19 129.27 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -145.13 132.21 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.38 146.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.7 p -73.36 111.97 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.31 -149.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' H ' HD13 ' A' ' 17' ' ' LEU . 3.0 tmtm? 60.93 12.03 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtpp -66.88 -96.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.863 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -70.43 -34.29 72.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 159.65 -32.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -155.62 -161.26 10.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.666 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 21.3 ptp -98.5 -10.12 24.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.743 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 27.36 63.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 HG13 ' A' ' 45' ' ' VAL . 3.4 tm? -120.74 136.06 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.501 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 t -105.85 107.52 18.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 16.7 pt -97.52 174.35 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 3.5 m -156.25 116.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . 164.08 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 163.38 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -85.05 108.2 17.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.56 161.95 11.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.0 37.75 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.59 -82.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -149.49 29.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.45 39.89 21.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 38' ' ' LEU . 14.9 pttp -179.84 142.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 30' ' ' ALA . 4.2 mp -139.48 151.84 46.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.56 79.63 0.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 71' ' ' LEU . 46.1 mt -46.18 111.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.754 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -129.92 140.06 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 58.5 t -76.16 131.2 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -91.47 -32.86 15.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.474 ' O ' HD22 ' A' ' 25' ' ' LEU . 60.4 p -178.23 -164.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -131.52 139.72 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.638 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.7 t -54.74 -16.1 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HA ' ' CG ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 60.77 40.85 15.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.36 27.71 0.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.81 159.96 26.98 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.45 -35.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.774 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -53.82 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 6.8 t70 -66.57 -8.01 24.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.863 HG21 ' HG3' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -89.16 -30.43 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.638 ' N ' ' O ' ' A' ' 50' ' ' ALA . 25.4 t70 -85.58 10.85 12.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.39 48.41 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.62 -38.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -69.62 148.96 48.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 178.03 172.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -58.79 142.93 48.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 99.01 -8.17 60.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.488 ' CB ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.92 69.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' GLY . 23.7 tt0 -68.1 109.57 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 94' ' ' VAL . 3.0 mp -86.38 115.53 23.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -81.36 -22.77 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -165.6 160.74 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.672 ' CG1' HD13 ' A' ' 71' ' ' LEU . 11.2 m -144.5 125.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.19 34.66 18.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.22 -32.86 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.799 ' HD2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.08 121.69 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 59.7 p -57.58 138.28 55.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -121.16 -8.38 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 p -69.71 56.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.03 43.36 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.92 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.2 178.51 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -111.34 137.32 49.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -41.24 -30.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -71.02 -51.94 22.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -56.94 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -44.32 29.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.74 -47.32 85.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -53.93 -40.26 66.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.13 -46.02 65.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.462 ' CE ' HD13 ' A' ' 27' ' ' ILE . 8.3 mtm -64.6 -16.65 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 86' ' ' THR . 96.3 m -70.5 -81.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -68.59 59.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.9 t 81.73 -178.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.056 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' LEU . 92.8 p -66.36 13.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 87' ' ' SER . 3.5 t -144.96 128.98 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.843 HG12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -125.82 119.4 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 91' ' ' THR . 12.9 t -122.34 94.93 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.843 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -130.88 163.84 26.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 2.9 mp0 -111.18 111.74 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -119.84 153.28 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.78 172.86 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 -168.3 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -124.64 88.17 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.14 -111.38 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.09 179.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.724 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.77 -37.38 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.27 4.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mp 63.88 94.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -95.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' ARG . 81.6 p -134.32 96.25 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.83 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER 66.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -117.27 62.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -45.15 157.78 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.03 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER 76.99 -71.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 12' ' ' ILE . 4.7 tt -107.08 104.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.827 HD11 ' NH1' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -113.24 130.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' VAL . 13.4 t -147.52 140.44 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.7 145.43 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 p -71.9 113.61 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -73.3 -148.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 56.33 13.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' LEU . 17.8 mtpp -74.91 -94.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 2.8 mt-30 -70.44 -34.21 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 4.6 m-20 159.59 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -153.4 -157.33 8.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.761 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 13.8 ptp -98.8 -9.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.7 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 34.87 59.37 0.71 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.015 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -126.42 131.59 51.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.015 ' N ' HD22 ' A' ' 25' ' ' LEU . 35.8 t -102.44 110.15 22.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.944 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 76' ' ' GLN . 12.9 pt -88.38 168.88 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.707 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -151.56 110.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.7 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 164.59 131.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -90.13 108.33 19.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.34 171.49 15.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.9 34.87 20.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -78.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 6.1 tm0? -142.88 23.9 1.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 0.768 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 57.08 39.87 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 31' ' ' LYS . 6.9 mttt 175.67 130.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 39' ' ' GLY . 7.4 tt -139.89 148.02 41.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.711 ' N ' HD23 ' A' ' 38' ' ' LEU . . . -72.54 119.79 7.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LEU . 6.4 mt -72.83 118.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' ' O ' ' A' ' 42' ' ' VAL . 6.4 t80 -138.0 130.64 29.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 25' ' ' LEU . 55.0 t -69.19 131.69 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.13 -33.82 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -170.31 -168.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -136.82 135.98 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.7 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 17.1 t -54.17 -18.19 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.1 ptmt 60.43 40.3 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.93 29.76 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -142.76 164.78 27.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -40.19 -43.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.86 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 2.8 t0 -55.4 -10.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.1 t -87.71 -21.81 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 57' ' ' LEU . 45.8 p30 -73.56 -4.19 32.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.69 49.82 67.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.827 ' NH1' HD11 ' A' ' 13' ' ' ILE . 2.5 ptp180 -171.02 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -60.23 150.13 31.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.09 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -52.72 136.34 33.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 104.9 -1.64 41.45 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' OD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -81.04 75.8 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -70.33 109.8 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.8 mp -85.33 113.62 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.32 -26.31 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.472 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.5 p -164.91 161.51 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.724 ' CG2' HD22 ' A' ' 71' ' ' LEU . 39.1 t -148.24 132.51 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.18 34.75 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.05 -29.64 5.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' VAL . 3.7 mtt-85 -72.62 151.88 42.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 40.9 m -77.45 138.19 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -121.16 -9.83 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.755 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.1 p -69.11 56.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 38' ' ' LEU . . . 135.39 42.46 0.12 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.936 HD12 HD12 ' A' ' 71' ' ' LEU . 8.0 mt -109.85 137.24 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -69.39 138.91 54.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.845 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.5 tt0 -40.32 -40.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -50.95 71.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.63 -60.51 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.39 -43.18 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -63.4 -48.41 77.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -51.5 -38.32 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 78' ' ' ARG . 5.5 mp -70.02 -45.91 66.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.538 ' HA ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -69.86 -11.14 60.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.3 m -70.73 -76.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -77.56 51.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.651 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -77.72 -31.05 52.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.4 OUTLIER 82.22 -178.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.988 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LEU . 83.3 p -66.28 9.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.596 ' H ' ' C ' ' A' ' 87' ' ' SER . 4.7 t -143.37 128.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -122.65 118.46 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 91' ' ' THR . 1.9 t -123.44 100.65 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.858 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.18 160.69 37.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 56.7 mt-10 -101.85 114.21 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.654 HG21 ' OD1' ' A' ' 61' ' ' ASP . 1.4 m -118.03 149.48 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.32 159.9 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -114.6 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.11 82.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.26 76.16 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.33 177.81 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.49 144.97 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 21.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.98 97.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.43 -138.65 5.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -73.45 157.13 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -52.13 -64.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 176.36 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.53 55.78 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 66.41 100.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 94' ' ' VAL . 20.9 tt0 -147.26 151.31 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -132.11 109.79 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.947 ' CD1' HG21 ' A' ' 94' ' ' VAL . 78.1 mt -106.44 129.69 59.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' THR . 9.0 t -160.02 113.33 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.32 149.32 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -74.41 114.35 12.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -66.51 -149.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.623 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.3 mttt 60.07 10.61 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -67.45 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -70.46 -34.33 72.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 20' ' ' GLN . 1.8 m-80 159.66 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.736 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -157.56 -160.04 9.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 15.9 ptp -98.62 -7.84 27.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.714 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 31.57 59.15 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.037 HD22 ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -125.34 129.27 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.037 ' N ' HD22 ' A' ' 25' ' ' LEU . 58.3 m -102.53 110.05 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.882 HG21 ' HE1' ' A' ' 83' ' ' MET . 20.1 pt -89.47 168.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -148.93 112.64 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 158.85 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -166.17 -136.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -179.73 108.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.05 175.99 14.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.93 36.9 23.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' OE1' ' A' ' 35' ' ' GLN . . . -173.66 -86.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -129.03 10.48 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.82 21.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.49 102.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -81.75 169.22 17.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.64 -28.67 62.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 29' ' ' ALA . 3.2 mm 64.76 110.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -140.76 134.41 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 99.4 t -66.72 127.94 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.93 -33.1 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.3 p -168.34 -164.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.0 m -142.72 138.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.714 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 22.9 t -54.27 -17.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HG3' HG23 ' A' ' 45' ' ' VAL . 6.3 mttp 60.7 40.79 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.07 29.66 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.77 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -141.6 167.42 25.87 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -39.4 -42.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -49.72 -88.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 25.9 t70 -55.21 -12.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.77 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 2.4 t -85.15 -22.7 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.2 t0 -78.8 0.52 26.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.78 56.54 13.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HD3' ' CG ' ' A' ' 54' ' ' ASP . 6.4 ptm180 -175.07 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -61.23 156.2 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 162.96 -166.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 43' ' ' LYS . . . -70.03 130.97 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.1 40.62 1.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.749 ' CG ' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -121.37 86.39 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 6.2 mp0 -78.41 109.71 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 71' ' ' LEU . 4.0 mp -88.08 116.18 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.5 -28.09 34.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 3.1 p -161.33 158.89 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.689 ' CG2' HD22 ' A' ' 71' ' ' LEU . 58.9 t -143.72 127.3 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.9 34.63 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -29.9 5.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG2' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.8 131.32 40.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 84.0 p -59.1 138.32 57.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 74' ' ' LEU . 1.1 tp -121.42 -6.29 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.1 p -67.85 55.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 134.73 42.87 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.983 HD12 HD12 ' A' ' 71' ' ' LEU . 9.5 mt -110.23 102.38 11.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -43.5 138.94 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 27' ' ' ILE . 1.4 mt-30 -39.12 -28.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -63.63 -57.92 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -45.52 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -54.92 -46.42 74.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -61.53 -49.43 76.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -39.89 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -70.08 -48.83 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.882 ' HE1' HG21 ' A' ' 27' ' ' ILE . 7.5 mtm -64.17 -15.91 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.8 m -69.9 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.54 56.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.67 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -84.37 -30.95 25.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 89' ' ' VAL . 1.5 t 81.84 -178.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' LEU . 30.1 p -67.34 8.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -141.71 128.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.67 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.46 117.23 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 91' ' ' THR . 2.7 t -125.04 101.12 6.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.71 158.81 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 1.6 mt-10 -103.4 121.53 43.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.947 HG21 ' CD1' ' A' ' 13' ' ' ILE . 2.8 t -111.78 179.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 94' ' ' VAL . . . -167.32 158.96 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -179.0 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -176.95 77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.29 -167.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.408 ' C ' HG22 ' A' ' 100' ' ' ILE . . . -172.05 69.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG22 ' C ' ' A' ' 99' ' ' ALA . 2.7 tp 43.22 62.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.43 166.28 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.26 171.47 21.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.587 1.179 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 159.58 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 6' ' ' LEU . 4.5 mm? -76.32 176.8 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -139.39 85.06 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 5.1 tmtt? -174.84 67.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 167.78 -56.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -74.97 -168.9 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -118.19 87.76 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.807 HG21 ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -77.88 168.7 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' CD2' ' A' ' 92' ' ' LEU . 20.1 mt -153.04 129.57 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.74 HG22 ' OG1' ' A' ' 91' ' ' THR . 47.1 p -146.56 117.18 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.98 148.26 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 48.3 p -79.07 112.38 16.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD11 ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -64.39 -150.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.4 tppt? 64.32 6.06 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -62.82 -112.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 13.8 mt-30 -70.93 -11.22 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 2.0 m-20 158.29 -78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.855 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . -128.21 -145.18 6.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 17.6 ptp -99.41 -8.01 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 27.7 60.9 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.858 HD23 HG13 ' A' ' 45' ' ' VAL . 3.2 tm? -120.85 128.79 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' N ' HD13 ' A' ' 25' ' ' LEU . 67.6 m -94.93 105.0 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' CG2' HD12 ' A' ' 25' ' ' LEU . 19.9 pt -89.0 170.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -155.89 111.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 28' ' ' VAL . . . 161.61 -165.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 -143.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.6 108.56 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 38' ' ' LEU . . . 165.37 -111.03 0.44 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.82 34.8 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.94 13.95 28.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -123.02 -3.39 8.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.06 34.9 18.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.92 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -90.29 158.8 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.46 92.84 1.42 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.7 mp -54.08 119.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -132.34 128.16 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 25' ' ' LEU . 55.5 t -69.89 132.95 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -92.07 -34.91 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HD22 ' A' ' 25' ' ' LEU . 89.0 p -176.12 -167.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.858 HG13 HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -130.73 134.87 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 24.5 t -54.54 -20.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 3.0 ttmt 60.42 40.83 16.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.29 36.73 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.664 ' O ' ' HB ' ' A' ' 53' ' ' VAL . . . -154.9 168.26 32.86 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.731 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.64 -62.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -43.73 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -47.01 -30.96 2.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.664 ' HB ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -79.34 -33.92 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.731 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.9 t0 -47.95 -23.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 67.98 5.52 40.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -16.74 10.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD12 ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -77.35 150.97 35.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 168.96 169.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -55.08 122.95 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.28 37.94 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' HB2' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -117.62 89.33 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 40.9 tt0 -79.12 109.85 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.867 ' HB2' HD23 ' A' ' 71' ' ' LEU . 1.7 mp -86.7 114.93 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -81.67 -31.11 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -158.17 161.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.772 HG23 ' HB3' ' A' ' 92' ' ' LEU . 5.2 p -143.56 129.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 52.74 34.82 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.55 -38.36 3.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.819 ' HD3' HD11 ' A' ' 82' ' ' LEU . 3.2 mtt85 -65.38 158.22 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 7.4 m -84.04 137.96 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 74' ' ' LEU . 2.2 tp -121.11 -6.29 9.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.3 p -69.19 56.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 135.53 39.62 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' LEU . 7.3 mt -109.51 102.22 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' GLU . 1.6 p -40.75 140.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.5 tt0 -39.82 -31.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' SER . 0.3 OUTLIER -64.02 -55.86 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG2' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -72.03 -51.75 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -49.62 -43.51 46.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -66.98 -42.56 84.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -56.87 -39.98 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD11 ' HD3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -70.98 -50.96 28.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.49 ' HB3' ' CE ' ' A' ' 23' ' ' MET . 13.5 mtm -61.13 -19.7 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' THR . 24.3 m -65.91 -81.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -67.86 60.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -91.29 -31.37 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 81.69 -178.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 17' ' ' LEU . 80.0 p -63.07 3.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.555 ' H ' ' C ' ' A' ' 87' ' ' SER . 1.5 p -139.36 127.34 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 92' ' ' LEU . 14.7 p -132.34 116.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.74 ' OG1' HG22 ' A' ' 14' ' ' THR . 14.9 t -124.79 109.88 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.772 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -131.13 165.29 23.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 20.6 mt-10 -119.56 113.59 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 11' ' ' GLU . 1.5 m -115.79 -170.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 94' ' ' VAL . . . -169.19 168.9 9.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -165.44 168.6 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -93.75 91.03 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 171.28 -103.51 0.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 73.27 147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.38 142.47 28.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.4 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.05 3.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.35 96.97 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.99 -156.12 21.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 60.21 105.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.51 154.85 42.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -56.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -42.92 142.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.52 110.46 2.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' HB2' HD11 ' A' ' 13' ' ' ILE . 18.3 Cg_endo -75.0 -61.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 6.5 tt0 89.99 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.926 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -89.87 110.43 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.0 mp -123.76 129.96 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -148.6 136.75 21.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.92 145.84 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' SER . 1.6 m -73.37 112.39 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -68.49 -147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.591 ' H ' HD13 ' A' ' 17' ' ' LEU . 4.4 tttp 56.7 14.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 16.1 mttt -73.03 -95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 1.1 tt0 -70.44 -34.14 72.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER 159.58 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.732 ' C ' HD21 ' A' ' 17' ' ' LEU . . . -158.47 -161.84 11.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 1.027 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -98.02 -10.35 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 30.76 62.55 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.982 HD12 HD11 ' A' ' 57' ' ' LEU . 2.8 tt -122.07 123.19 41.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.751 ' N ' HD23 ' A' ' 25' ' ' LEU . 44.4 t -96.64 105.16 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.725 HD11 ' HG3' ' A' ' 76' ' ' GLN . 7.9 pt -86.4 170.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.769 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -153.74 114.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.939 ' HB3' HD13 ' A' ' 40' ' ' ILE . . . 154.87 -168.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . 179.08 -143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 75' ' ' SER . 0.9 OUTLIER -173.5 108.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.35 175.34 15.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.97 34.89 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.68 -80.34 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -138.28 25.39 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 70.8 m-20 54.13 40.08 31.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER 177.12 136.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 30' ' ' ALA . 4.5 tt -139.89 143.78 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 119.32 14.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.939 HD13 ' HB3' ' A' ' 29' ' ' ALA . 18.0 mm -78.07 126.11 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.11 134.89 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.716 HG22 HD21 ' A' ' 25' ' ' LEU . 93.1 t -68.37 130.99 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -91.33 -33.31 15.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 p -173.27 -171.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -129.64 135.67 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.676 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 21.9 t -53.99 -19.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 60.41 40.27 17.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' H ' ' CG ' ' A' ' 52' ' ' ASP . . . -166.15 36.99 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 53' ' ' VAL . . . -152.58 163.71 30.43 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -41.89 -52.02 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.027 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -54.33 -58.2 8.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.708 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -66.14 -14.75 62.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.625 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -89.61 -34.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -48.15 -23.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 53' ' ' VAL . . . 71.45 -2.31 22.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -120.52 -5.71 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.982 HD11 HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -91.69 149.14 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 57' ' ' LEU . . . 161.4 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . -50.58 162.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' LYS . . . 71.49 31.89 65.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -113.95 66.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -59.02 110.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' A' ' 92' ' ' LEU . 1.9 mp -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -81.46 -30.48 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 71' ' ' LEU . 2.7 p -159.95 162.31 34.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.779 ' CG2' HD13 ' A' ' 71' ' ' LEU . 90.8 t -146.54 122.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.18 34.6 17.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.39 -30.88 6.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -74.09 116.77 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 1.3 m -53.09 138.68 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.779 HD13 ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -121.19 -3.67 9.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.7 p -68.79 54.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 133.72 42.93 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' O ' HD11 ' A' ' 40' ' ' ILE . 8.2 mt -110.24 137.66 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CG ' ' A' ' 31' ' ' LYS . 35.1 p -67.11 127.13 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.725 ' HG3' HD11 ' A' ' 27' ' ' ILE . 36.9 tt0 -39.68 -28.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.9 mt-10 -65.28 -57.21 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -46.94 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . . . -52.63 -45.13 66.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 76' ' ' GLN . . . -67.28 -45.94 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.7 -40.55 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -44.95 66.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.526 ' HB3' ' HE2' ' A' ' 23' ' ' MET . 7.0 mtm -65.48 -18.69 65.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' THR . 89.5 m -61.33 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 59.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.755 ' CG2' HG13 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -86.73 -31.11 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.625 ' C ' ' H ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER 82.22 -178.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 16' ' ' THR . 52.7 p -64.39 10.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 87' ' ' SER . 5.0 t -144.26 128.71 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.755 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.2 OUTLIER -125.91 119.34 54.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -122.43 98.27 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -132.2 160.05 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 14.9 mt-10 -102.89 112.78 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 13' ' ' ILE . 3.4 m -119.09 151.48 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . . . -138.87 156.5 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 0.3 OUTLIER 73.93 158.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 173.77 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.81 91.83 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.79 -174.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 100' ' ' ILE . 4.9 mp -116.28 148.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 stop_ save_